CAS RN: 511532-96-0

N-(Piperidin-1-yl)-1-(2,4-dichlorophenyl)-1,4-dihydro-6-methylindeno[1,2-c]pyrazole-3-carboxamide

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  • Product code: starshine_CAS511532-96-0
  • Purity/Analytical Methods: >99.0%
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511532-96-0 / 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide

Standard CAS: 511532-96-0 Multi CAS: No

Basic Information

CAS
511532-96-0
Multi CAS
No
Molecular Formula
C23H22CL2N4O
Molecular Weight
441.300000
Exact Mass
440.117067
InChI
InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
InChIKey
FNOMTMVRTBHRET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
119.45
TPSA
50.16

LogP / Solubility

WLOGP
5.19
MLOGP
4.6
XLogP3
5.9
Consensus LogP
5.23
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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