CAS RN: 195055-03-9
R-121,919
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: starshine_CAS195055-03-9
- Purity/Analytical Methods: >99.0%
195055-03-9 / 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
Basic Information
CAS
195055-03-9
Multi CAS
No
Molecular Formula
C22H32N6
Molecular Weight
380.500000
Exact Mass
380.268845
SMILES
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=CN=C(C=C3C)N(C)C)C
InChI
InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
InChIKey
ANNRUWYFVIGKHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
117.55
TPSA
49.56
LogP / Solubility
WLOGP
4.41
MLOGP
3.9
XLogP3
4.7
Consensus LogP
4.34
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 195055-66-4 3-(6-(DIMETHYLAMINO)-4-METHYLPYRIDIN-3-YL)-2,5-DIMETHYL-N,N-DIPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE HYDROCHLORIDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-(6-(DIMETHYLAMINO)-4-METHYLPYRIDIN-3-YL)-2,5-DIMETHYL-N,N-DIPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE HYDROCHLORIDE
- CAS RN: 195055-66-4
- Product Code: starshine_CAS195055-66-4
- Purity/Analytical method: >99.0%
-
5(S)-HETRE
- CAS RN: 195061-94-0
- Product Code: starshine_CAS195061-94-0
- Purity/Analytical method: >99.0%
-
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CHLOROBENZENE
- CAS RN: 195062-61-4
- Product Code: SSC-091982
-
-
1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI)
- CAS RN: 195070-68-9
- Product Code: SSC-091991
-
![CAS 195055-66-4 3-(6-(DIMETHYLAMINO)-4-METHYLPYRIDIN-3-YL)-2,5-DIMETHYL-N,N-DIPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/195055-66-4.gif)
