![CAS 1651214-74-2 tert-butyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1651214-74-2.gif)
CAS RN: 1651214-74-2
tert-butyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
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.20250422 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1651214-74-2
- Purity/Analytical Methods: >99.0%
1651214-74-2 / tert-butyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
Basic Information
CAS
1651214-74-2
Multi CAS
No
Molecular Formula
C29H37N7O4
Molecular Weight
547.600000
Exact Mass
547.290703
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)C(=O)C
InChI
InChI=1S/C29H37N7O4/c1-18-22-17-31-27(33-25(22)36(20-8-6-7-9-20)26(38)24(18)19(2)37)32-23-11-10-21(16-30-23)34-12-14-35(15-13-34)28(39)40-29(3,4)5/h10-11,16-17,20H,6-9,12-15H2,1-5H3,(H,30,31,32,33)
InChIKey
QVJKVBFRYVEWGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.52
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
153.58
TPSA
122.55
LogP / Solubility
WLOGP
4.61
MLOGP
4.1
XLogP3
3.1
Consensus LogP
3.94
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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