2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C34H28FN5O4S — CID 71295655

IUPAC2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)c4nc(C)cn4c3)cc12
InChIInChI=1S/C34H28FN5O4S/c1-19-17-40-18-22(13-25(33(40)37-19)28-14-21-7-5-6-8-27(21)38-28)24-15-26-30(16-29(24)39(3)45(4,42)43)44-32(31(26)34(41)36-2)20-9-11-23(35)12-10-20/h5-18,38H,1-4H3,(H,36,41)
InChIKeyRHVKRERRNNNXBB-UHFFFAOYSA-N
MW621.69 g/mol
LogP6.77
Rot. Bonds6

About 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71295655) has the molecular formula C34H28FN5O4S and a molecular weight of 621.69 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID71295655
Molecular FormulaC34H28FN5O4S
Molecular Weight621.69 g/mol
Exact Mass621.18
IUPAC Name2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)c4nc(C)cn4c3)cc12
InChIInChI=1S/C34H28FN5O4S/c1-19-17-40-18-22(13-25(33(40)37-19)28-14-21-7-5-6-8-27(21)38-28)24-15-26-30(16-29(24)39(3)45(4,42)43)44-32(31(26)34(41)36-2)20-9-11-23(35)12-10-20/h5-18,38H,1-4H3,(H,36,41)
InChIKeyRHVKRERRNNNXBB-UHFFFAOYSA-N
XLogP6.77
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.69
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide 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-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71295655) is 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)c4nc(C)cn4c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is RHVKRERRNNNXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28FN5O4S/c1-19-17-40-18-22(13-25(33(40)37-19)28-14-21-7-5-6-8-27(21)38-28)24-15-26-30(16-29(24)39(3)45(4,42)43)44-32(31(26)34(41)36-2)20-9-11-23(35)12-10-20/h5-18,38H,1-4H3,(H,36,41).
What are the key properties of 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 621.69 g/mol, XLogP of 6.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71295655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).