[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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).