1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one

C26H21FN4O3S — CID 18753735

IUPAC1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one
SMILESCS(=O)(=O)c1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(CN)c4)c3C2=O)c(F)c1
InChIInChI=1S/C26H21FN4O3S/c1-35(33,34)23-8-3-2-7-19(23)17-9-10-20(21(27)12-17)24-26(32)25-22(14-29-24)30-15-31(25)18-6-4-5-16(11-18)13-28/h2-12,14-15,24H,13,28H2,1H3
InChIKeyREAYXHTWBVNXKR-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.90
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one

1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753735) has the molecular formula C26H21FN4O3S and a molecular weight of 488.54 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753735
Molecular FormulaC26H21FN4O3S
Molecular Weight488.54 g/mol
Exact Mass488.13
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one
SMILESCS(=O)(=O)c1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(CN)c4)c3C2=O)c(F)c1
InChIInChI=1S/C26H21FN4O3S/c1-35(33,34)23-8-3-2-7-19(23)17-9-10-20(21(27)12-17)24-26(32)25-22(14-29-24)30-15-31(25)18-6-4-5-16(11-18)13-28/h2-12,14-15,24H,13,28H2,1H3
InChIKeyREAYXHTWBVNXKR-UHFFFAOYSA-N
XLogP3.90
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-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 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one (CID 18753735) is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one is CS(=O)(=O)c1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(CN)c4)c3C2=O)c(F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is REAYXHTWBVNXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3S/c1-35(33,34)23-8-3-2-7-19(23)17-9-10-20(21(27)12-17)24-26(32)25-22(14-29-24)30-15-31(25)18-6-4-5-16(11-18)13-28/h2-12,14-15,24H,13,28H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 488.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-6H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).