2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one

C22H26N4O2 — CID 166307452

IUPAC2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
SMILESCC(C)C(O)(C(=O)N1CCC(n2cnc3cccnc32)CC1)c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-16(2)22(28,17-7-4-3-5-8-17)21(27)25-13-10-18(11-14-25)26-15-24-19-9-6-12-23-20(19)26/h3-9,12,15-16,18,28H,10-11,13-14H2,1-2H3
InChIKeyTYAFKZDFCHKELP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.14
Rot. Bonds4

About 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one

2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one (PubChem CID 166307452) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
PubChem CID166307452
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
SMILESCC(C)C(O)(C(=O)N1CCC(n2cnc3cccnc32)CC1)c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-16(2)22(28,17-7-4-3-5-8-17)21(27)25-13-10-18(11-14-25)26-15-24-19-9-6-12-23-20(19)26/h3-9,12,15-16,18,28H,10-11,13-14H2,1-2H3
InChIKeyTYAFKZDFCHKELP-UHFFFAOYSA-N
XLogP3.14
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one with MolForge

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Related Compounds

tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
CID 16674773
N-(2,3-dimethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286518
N-(3,5-dimethoxyphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286550
N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
CID 16674629
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid
CID 67311679
2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 46958754
(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95826236
5-amino-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]imidazole-4-carboxylic acid
CID 167721230

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one?
The IUPAC name of 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one (CID 166307452) is 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one is CC(C)C(O)(C(=O)N1CCC(n2cnc3cccnc32)CC1)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one?
The InChIKey is TYAFKZDFCHKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)22(28,17-7-4-3-5-8-17)21(27)25-13-10-18(11-14-25)26-15-24-19-9-6-12-23-20(19)26/h3-9,12,15-16,18,28H,10-11,13-14H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one?
2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one has a molecular weight of 378.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one is sourced from PubChem (CID 166307452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).