1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C24H23ClN6O — CID 53086065

IUPAC1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1
InChIInChI=1S/C24H23ClN6O/c25-20-8-2-1-7-19(20)21-13-22-23(27-10-12-31(22)29-21)30-11-4-6-18(16-30)24(32)28-15-17-5-3-9-26-14-17/h1-3,5,7-10,12-14,18H,4,6,11,15-16H2,(H,28,32)
InChIKeyCMJGLEKECADWAM-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 53086065) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID53086065
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1
InChIInChI=1S/C24H23ClN6O/c25-20-8-2-1-7-19(20)21-13-22-23(27-10-12-31(22)29-21)30-11-4-6-18(16-30)24(32)28-15-17-5-3-9-26-14-17/h1-3,5,7-10,12-14,18H,4,6,11,15-16H2,(H,28,32)
InChIKeyCMJGLEKECADWAM-UHFFFAOYSA-N
XLogP3.98
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073731
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3,5-difluorophenyl)methyl]piperidine-3-carboxamide
CID 95073759
N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 53086050
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95073786
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073750
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 95073723
(3S)-N-butyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073730
(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892016
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073700
(3S)-N-[(4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073624
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92892088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 53086065) is 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)C1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CMJGLEKECADWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c25-20-8-2-1-7-19(20)21-13-22-23(27-10-12-31(22)29-21)30-11-4-6-18(16-30)24(32)28-15-17-5-3-9-26-14-17/h1-3,5,7-10,12-14,18H,4,6,11,15-16H2,(H,28,32).
What are the key properties of 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53086065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).