N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide

C25H28ClN5O2 — CID 50848979

IUPACN-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C25H28ClN5O2/c1-17-4-5-20(26)15-22(17)28-25(33)30-11-6-18(7-12-30)19-8-13-31-23(14-19)21(16-27-31)24(32)29-9-2-3-10-29/h4-5,8,13-16,18H,2-3,6-7,9-12H2,1H3,(H,28,33)
InChIKeyBXXVMDGOCYKXPN-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.94
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide

N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (PubChem CID 50848979) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
PubChem CID50848979
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C25H28ClN5O2/c1-17-4-5-20(26)15-22(17)28-25(33)30-11-6-18(7-12-30)19-8-13-31-23(14-19)21(16-27-31)24(32)29-9-2-3-10-29/h4-5,8,13-16,18H,2-3,6-7,9-12H2,1H3,(H,28,33)
InChIKeyBXXVMDGOCYKXPN-UHFFFAOYSA-N
XLogP4.94
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848916
N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848787
(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849004
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
N-(3,4-dimethoxyphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848915
(2-fluorophenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848538
2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 53041288
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
(4-chlorophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848975
1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]pentan-1-one
CID 50849103
(3,4-dimethylphenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849106
N-(3-methoxyphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848723

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (CID 50848979) is N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The InChIKey is BXXVMDGOCYKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-17-4-5-20(26)15-22(17)28-25(33)30-11-6-18(7-12-30)19-8-13-31-23(14-19)21(16-27-31)24(32)29-9-2-3-10-29/h4-5,8,13-16,18H,2-3,6-7,9-12H2,1H3,(H,28,33).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50848979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).