[email protected]
CAS 1201673-28-0 BPKDi molecular structure lightbox
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
Batch No.PackageAvailabilityInquiry
Batchno.20260303 1mg Out of stock Inquiry
Batchno.20250203 5mg Out of stock Inquiry
  • Product code: starshine_CAS1201673-28-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

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

Standard CAS: 1201673-28-0 Multi CAS: No
Basic Information Computed Properties

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

Get In Touch

Contact Us