[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone

C21H23FN4O2 — CID 156810884

IUPAC[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCCc1nc2cc(C(=O)N3CCC(F)CC3)cnc2n1-c1ccc(OC)cc1
InChIInChI=1S/C21H23FN4O2/c1-3-19-24-18-12-14(21(27)25-10-8-15(22)9-11-25)13-23-20(18)26(19)16-4-6-17(28-2)7-5-16/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyAWZHGUZTVJRPGF-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.57
Rot. Bonds4

About [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone

[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156810884) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID156810884
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCCc1nc2cc(C(=O)N3CCC(F)CC3)cnc2n1-c1ccc(OC)cc1
InChIInChI=1S/C21H23FN4O2/c1-3-19-24-18-12-14(21(27)25-10-8-15(22)9-11-25)13-23-20(18)26(19)16-4-6-17(28-2)7-5-16/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyAWZHGUZTVJRPGF-UHFFFAOYSA-N
XLogP3.57
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
CID 170530613
methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 156810757
4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile
CID 156811140
3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid;[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;methyl 5-amino-6-(4-methoxyanilino)pyridine-3-carboxylate;methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990651
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 164780332
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109247542
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119375625
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
CID 156811048
[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 167747728

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone (CID 156810884) is [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone is CCc1nc2cc(C(=O)N3CCC(F)CC3)cnc2n1-c1ccc(OC)cc1.
What is the InChIKey of [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is AWZHGUZTVJRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-3-19-24-18-12-14(21(27)25-10-8-15(22)9-11-25)13-23-20(18)26(19)16-4-6-17(28-2)7-5-16/h4-7,12-13,15H,3,8-11H2,1-2H3.
What are the key properties of [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156810884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).