2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone

C27H31FN4O2 — CID 50849005

IUPAC2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)Cc5ccc(F)cc5)CC4)cc23)CC1
InChIInChI=1S/C27H31FN4O2/c1-19-6-11-31(12-7-19)27(34)24-18-29-32-15-10-22(17-25(24)32)21-8-13-30(14-9-21)26(33)16-20-2-4-23(28)5-3-20/h2-5,10,15,17-19,21H,6-9,11-14,16H2,1H3
InChIKeyPGYMZGUMMOAXGL-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 50849005) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID50849005
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)Cc5ccc(F)cc5)CC4)cc23)CC1
InChIInChI=1S/C27H31FN4O2/c1-19-6-11-31(12-7-19)27(34)24-18-29-32-15-10-22(17-25(24)32)21-8-13-30(14-9-21)26(33)16-20-2-4-23(28)5-3-20/h2-5,10,15,17-19,21H,6-9,11-14,16H2,1H3
InChIKeyPGYMZGUMMOAXGL-UHFFFAOYSA-N
XLogP4.29
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848813
(2-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848974
2-methyl-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848846
(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848910
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 174355954
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
1-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848848
(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848779
1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]pentan-1-one
CID 50849103
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
(2-fluorophenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848538

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (CID 50849005) is 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is CC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)Cc5ccc(F)cc5)CC4)cc23)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is PGYMZGUMMOAXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-19-6-11-31(12-7-19)27(34)24-18-29-32-15-10-22(17-25(24)32)21-8-13-30(14-9-21)26(33)16-20-2-4-23(28)5-3-20/h2-5,10,15,17-19,21H,6-9,11-14,16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 462.57 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50849005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).