2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide

C25H20FN5O3S — CID 18753737

IUPAC2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide
SMILESNCc1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)N=C3)c1
InChIInChI=1S/C25H20FN5O3S/c26-20-11-16(18-6-1-2-7-22(18)35(28,33)34)8-9-19(20)23-25(32)24-21(13-29-23)30-14-31(24)17-5-3-4-15(10-17)12-27/h1-11,13-14,23H,12,27H2,(H2,28,33,34)
InChIKeyDETQFNVWRPNESV-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide

2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide (PubChem CID 18753737) has the molecular formula C25H20FN5O3S and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide
PubChem CID18753737
Molecular FormulaC25H20FN5O3S
Molecular Weight489.53 g/mol
Exact Mass489.13
IUPAC Name2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide
SMILESNCc1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)N=C3)c1
InChIInChI=1S/C25H20FN5O3S/c26-20-11-16(18-6-1-2-7-22(18)35(28,33)34)8-9-19(20)23-25(32)24-21(13-29-23)30-14-31(24)17-5-3-4-15(10-17)12-27/h1-11,13-14,23H,12,27H2,(H2,28,33,34)
InChIKeyDETQFNVWRPNESV-UHFFFAOYSA-N
XLogP3.14
TPSA133.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide 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 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide?
The IUPAC name of 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide (CID 18753737) is 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide is NCc1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)N=C3)c1.
What is the InChIKey of 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide?
The InChIKey is DETQFNVWRPNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3S/c26-20-11-16(18-6-1-2-7-22(18)35(28,33)34)8-9-19(20)23-25(32)24-21(13-29-23)30-14-31(24)17-5-3-4-15(10-17)12-27/h1-11,13-14,23H,12,27H2,(H2,28,33,34).
What are the key properties of 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide?
2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide has a molecular weight of 489.53 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[3-(aminomethyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]-3-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 18753737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).