4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one

C25H24N2O2 — CID 59636694

IUPAC4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one
SMILESCOc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1
InChIInChI=1S/C25H24N2O2/c1-26-23-6-4-3-5-21(23)22-12-9-19(16-24(22)26)27-14-13-18(15-25(27)28)17-7-10-20(29-2)11-8-17/h7-16H,3-6H2,1-2H3
InChIKeyBCPHYSSFBHKTES-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.88
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one

4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one (PubChem CID 59636694) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one
PubChem CID59636694
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one
SMILESCOc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1
InChIInChI=1S/C25H24N2O2/c1-26-23-6-4-3-5-21(23)22-12-9-19(16-24(22)26)27-14-13-18(15-25(27)28)17-7-10-20(29-2)11-8-17/h7-16H,3-6H2,1-2H3
InChIKeyBCPHYSSFBHKTES-UHFFFAOYSA-N
XLogP4.88
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one 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 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one (CID 59636694) is 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one is COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one?
The InChIKey is BCPHYSSFBHKTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-26-23-6-4-3-5-21(23)22-12-9-19(16-24(22)26)27-14-13-18(15-25(27)28)17-7-10-20(29-2)11-8-17/h7-16H,3-6H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one?
4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one is sourced from PubChem (CID 59636694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).