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

C26H29FN4O2 — CID 50848910

IUPAC(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5cccc(F)c5)CC4)cc23)CC1
InChIInChI=1S/C26H29FN4O2/c1-18-5-10-30(11-6-18)26(33)23-17-28-31-14-9-20(16-24(23)31)19-7-12-29(13-8-19)25(32)21-3-2-4-22(27)15-21/h2-4,9,14-19H,5-8,10-13H2,1H3
InChIKeyAJZNSJOSILNEHL-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.37
Rot. Bonds3

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

(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848910) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848910
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5cccc(F)c5)CC4)cc23)CC1
InChIInChI=1S/C26H29FN4O2/c1-18-5-10-30(11-6-18)26(33)23-17-28-31-14-9-20(16-24(23)31)19-7-12-29(13-8-19)25(32)21-3-2-4-22(27)15-21/h2-4,9,14-19H,5-8,10-13H2,1H3
InChIKeyAJZNSJOSILNEHL-UHFFFAOYSA-N
XLogP4.37
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848779
(2-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848974
2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 50849005
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
2-methyl-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848846
1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848813
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 174355954
[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848976
(2-fluorophenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848538
[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849054
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848910) is (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is CC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5cccc(F)c5)CC4)cc23)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is AJZNSJOSILNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18-5-10-30(11-6-18)26(33)23-17-28-31-14-9-20(16-24(23)31)19-7-12-29(13-8-19)25(32)21-3-2-4-22(27)15-21/h2-4,9,14-19H,5-8,10-13H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 448.54 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).