4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide

C29H25FN4O2S — CID 20887132

IUPAC4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccccc3F)cc2)c1
InChIInChI=1S/C29H25FN4O2S/c1-36-24-7-4-5-21(15-24)16-32-28(35)22-11-9-20(10-12-22)19-37-29-33-26-13-14-31-17-27(26)34(29)18-23-6-2-3-8-25(23)30/h2-15,17H,16,18-19H2,1H3,(H,32,35)
InChIKeyOIQQQRXUKWKLHF-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.85
Rot. Bonds9

About 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide

4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 20887132) has the molecular formula C29H25FN4O2S and a molecular weight of 512.61 g/mol. Its IUPAC name is 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID20887132
Molecular FormulaC29H25FN4O2S
Molecular Weight512.61 g/mol
Exact Mass512.17
IUPAC Name4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccccc3F)cc2)c1
InChIInChI=1S/C29H25FN4O2S/c1-36-24-7-4-5-21(15-24)16-32-28(35)22-11-9-20(10-12-22)19-37-29-33-26-13-14-31-17-27(26)34(29)18-23-6-2-3-8-25(23)30/h2-15,17H,16,18-19H2,1H3,(H,32,35)
InChIKeyOIQQQRXUKWKLHF-UHFFFAOYSA-N
XLogP5.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide 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-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 20887132) is 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccccc3F)cc2)c1.
What is the InChIKey of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is OIQQQRXUKWKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2S/c1-36-24-7-4-5-21(15-24)16-32-28(35)22-11-9-20(10-12-22)19-37-29-33-26-13-14-31-17-27(26)34(29)18-23-6-2-3-8-25(23)30/h2-15,17H,16,18-19H2,1H3,(H,32,35).
What are the key properties of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide?
4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 512.61 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 20887132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).