[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone

C22H23ClN4O — CID 16674629

IUPAC[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H23ClN4O/c23-17-6-4-16(5-7-17)22(10-2-11-22)21(28)26-13-8-18(9-14-26)27-15-25-19-3-1-12-24-20(19)27/h1,3-7,12,15,18H,2,8-11,13-14H2
InChIKeyNBWCXLYJPZNSON-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.37
Rot. Bonds3

About [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone

[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 16674629) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID16674629
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H23ClN4O/c23-17-6-4-16(5-7-17)22(10-2-11-22)21(28)26-13-8-18(9-14-26)27-15-25-19-3-1-12-24-20(19)27/h1,3-7,12,15,18H,2,8-11,13-14H2
InChIKeyNBWCXLYJPZNSON-UHFFFAOYSA-N
XLogP4.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
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
2-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268624
(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95826236
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78778814
3-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156930
3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 23612567
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
CID 162626556
2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
CID 166307452

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone (CID 16674629) is [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone is O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is NBWCXLYJPZNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-17-6-4-16(5-7-17)22(10-2-11-22)21(28)26-13-8-18(9-14-26)27-15-25-19-3-1-12-24-20(19)27/h1,3-7,12,15,18H,2,8-11,13-14H2.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 394.91 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 [1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 16674629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).