![CAS 571190-22-2 Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/571190-22-2.gif)
CAS RN: 571190-22-2
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS571190-22-2
- Purity/Analytical Methods: >99.0%
571190-22-2 / 8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
571190-22-2
Multi CAS
No
Molecular Formula
C22H27N7O
Molecular Weight
405.500000
Exact Mass
405.227709
InChI
InChI=1S/C22H27N7O/c1-15-12-20(30)29(16-4-2-3-5-16)21-18(15)14-25-22(27-21)26-19-7-6-17(13-24-19)28-10-8-23-9-11-28/h6-7,12-14,16,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
InChIKey
HOXDMBXWILKORE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
118.64
TPSA
87.97
LogP / Solubility
WLOGP
2.76
MLOGP
2.46
XLogP3
1.9
Consensus LogP
2.37
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-3.23
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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