![CAS 1941177-45-2 4-[6-[(8-cyclopentyl-6-ethenyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1941177-45-2.gif)
CAS RN: 1941177-45-2
4-[6-[(8-cyclopentyl-6-ethenyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester
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.20250515 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1941177-45-2
- Purity/Analytical Methods: >99.0%
1941177-45-2 / tert-butyl 4-[6-[(8-cyclopentyl-6-ethenyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
Basic Information
CAS
1941177-45-2
Multi CAS
No
Molecular Formula
C29H37N7O3
Molecular Weight
531.600000
Exact Mass
531.295788
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=C
InChI
InChI=1S/C29H37N7O3/c1-6-22-19(2)23-18-31-27(33-25(23)36(26(22)37)20-9-7-8-10-20)32-24-12-11-21(17-30-24)34-13-15-35(16-14-34)28(38)39-29(3,4)5/h6,11-12,17-18,20H,1,7-10,13-16H2,2-5H3,(H,30,31,32,33)
InChIKey
XROVUZCSKNVTSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
1
Molar refractivity
153.67
TPSA
105.48
LogP / Solubility
WLOGP
5.05
MLOGP
4.49
XLogP3
4
Consensus LogP
4.51
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.91
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 1942110-76-0 2,2′-(5,5′-(2,6-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[1,2-b:4,5-b’]dithiophene-4,8-diyl)bis(thiophene-5,2-diyl))bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1942110-76-0.gif)
![CAS 1942919-79-0 8-[3,5-Difluoro-4-(4-morpholinylmethyl)phenyl]-2-[1-(4-piperidinyl)-1H-pyrazol-4-yl]quinoxaline dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1942919-79-0.gif)