![CAS 2204863-06-7 8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-6-vinylpyrido[2,3-d]pyrimidin-7(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2204863-06-7.gif)
CAS RN: 2204863-06-7
8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-6-vinylpyrido[2,3-d]pyrimidin-7(8H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2204863-06-7
- Purity/Analytical Methods: >99.0%
2204863-06-7 / 8-cyclopentyl-6-ethenyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
2204863-06-7
Multi CAS
No
Molecular Formula
C24H29N7O
Molecular Weight
431.500000
Exact Mass
431.243359
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C=C
InChI
InChI=1S/C24H29N7O/c1-3-19-16(2)20-15-27-24(29-22(20)31(23(19)32)17-6-4-5-7-17)28-21-9-8-18(14-26-21)30-12-10-25-11-13-30/h3,8-9,14-15,17,25H,1,4-7,10-13H2,2H3,(H,26,27,28,29)
InChIKey
BAMRZESJXFABIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
128.73
TPSA
87.97
LogP / Solubility
WLOGP
3.41
MLOGP
3.03
XLogP3
2.7
Consensus LogP
3.05
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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
Yes
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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