CAS RN: 1201673-28-0
BPKDi
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS1201673-28-0
- Purity/Analytical Methods: >99.0%
1201673-28-0 / 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
bpkdi | bipyridyl PKD inhibitor | 2-[2-(cyclohexylamino)pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide
Basic Information
CAS
1201673-28-0
Multi CAS
No
Molecular Formula
C21H28N6O
Molecular Weight
380.500000
Exact Mass
380.232460
SMILES
C1CCC(CC1)NC2=NC=CC(=C2)C3=NC(=CC(=C3)C(=O)N)N4CCNCC4
InChI
InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
InChIKey
XNWDRALEEPGBHB-UHFFFAOYSA-N
Synonyms
bpkdi
bipyridyl PKD inhibitor
2-[2-(cyclohexylamino)pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide
2-(2-(cyclohexylamino)pyridin-4-yl)-6-piperazin-1-ylpyridine-4-carboxamide
RefChem:121183
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
111.56
TPSA
96.17
LogP / Solubility
WLOGP
2.4
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
Methyl 2-chloro-6-morpholin-4-ylisonicotinate
- CAS RN: 1201675-09-3
- Product Code: SSC-020974
-
1H-Pyrrolo[3,4-c]pyridin-1-one, 4,6-dichloro-2,3-dihydro-
- CAS RN: 1201676-03-0
- Product Code: SSC-020975
-
7-BROMO-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE
- CAS RN: 1201684-80-1
- Product Code: SSC-020978
-
1-(2-Fluoroethyl)piperidin-4-amine dihydrochloride
- CAS RN: 1201694-15-6
- Product Code: SSC-020980
-
(4,5-difluoro-1H-benzo[d]imidazol-2-yl)methanamine
- CAS RN: 1201769-17-6
- Product Code: SSC-020985
![CAS 1201676-03-0 1H-Pyrrolo[3,4-c]pyridin-1-one, 4,6-dichloro-2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1201676-03-0.gif)
![CAS 1201684-80-1 7-BROMO-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1201684-80-1.gif)
![CAS 1201769-17-6 (4,5-difluoro-1H-benzo[d]imidazol-2-yl)methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1201769-17-6.gif)