![CAS 2231085-26-8 Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-2-[[5-(4-hydroxy-1-piperazinyl)-2-pyridinyl]amino]-5-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2231085-26-8.gif)
CAS RN: 2231085-26-8
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-2-[[5-(4-hydroxy-1-piperazinyl)-2-pyridinyl]amino]-5-methyl-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260215 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2231085-26-8
- Purity/Analytical Methods: >99.0%
2231085-26-8 / 6-acetyl-8-cyclopentyl-2-[[5-(4-hydroxypiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
2231085-26-8
Multi CAS
No
Molecular Formula
C24H29N7O3
Molecular Weight
463.500000
Exact Mass
463.233188
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)O)C5CCCC5)C(=O)C
InChI
InChI=1S/C24H29N7O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-30(34)12-10-29)28-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,34H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKey
GCUPXEXOHMNRRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
2
Molar refractivity
129.14
TPSA
116.48
LogP / Solubility
WLOGP
3.07
MLOGP
2.73
XLogP3
1.8
Consensus LogP
2.53
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
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)
-3.37
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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