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

C26H31N5O2 — CID 50848787

IUPACN-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c1
InChIInChI=1S/C26H31N5O2/c1-19-6-5-7-22(16-19)28-26(33)30-13-8-20(9-14-30)21-10-15-31-24(17-21)23(18-27-31)25(32)29-11-3-2-4-12-29/h5-7,10,15-18,20H,2-4,8-9,11-14H2,1H3,(H,28,33)
InChIKeyWLQXHUBUVPINNF-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.68
Rot. Bonds3

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

N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (PubChem CID 50848787) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
PubChem CID50848787
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c1
InChIInChI=1S/C26H31N5O2/c1-19-6-5-7-22(16-19)28-26(33)30-13-8-20(9-14-30)21-10-15-31-24(17-21)23(18-27-31)25(32)29-11-3-2-4-12-29/h5-7,10,15-18,20H,2-4,8-9,11-14H2,1H3,(H,28,33)
InChIKeyWLQXHUBUVPINNF-UHFFFAOYSA-N
XLogP4.68
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.68
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-(3,4-dimethoxyphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848915
(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849004
N-(3-methoxyphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848723
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848979
(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
1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]pentan-1-one
CID 50849103
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849054

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (CID 50848787) is N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The InChIKey is WLQXHUBUVPINNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19-6-5-7-22(16-19)28-26(33)30-13-8-20(9-14-30)21-10-15-31-24(17-21)23(18-27-31)25(32)29-11-3-2-4-12-29/h5-7,10,15-18,20H,2-4,8-9,11-14H2,1H3,(H,28,33).
What are the key properties of N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50848787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).