N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide

C35H31FN8O2S — CID 169168954

About N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide

N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide (PubChem CID 169168954) has the molecular formula C35H31FN8O2S and a molecular weight of 646.75 g/mol. Its IUPAC name is N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide
• PubChem CID: 169168954
• Molecular Formula: C35H31FN8O2S
• Molecular Weight: 646.75 g/mol
• Exact Mass: 646.23
• IUPAC Name: N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide
• SMILES: Cc1c(C#N)sc(COc2cccc(C3=CCN(Cc4nc5cc(NC(=O)c6ccc7n[nH]c(C)c7c6)ccc5n4C)CC3)n2)c1F
• InChI: InChI=1S/C35H31FN8O2S/c1-20-30(17-37)47-31(34(20)36)19-46-33-6-4-5-26(40-33)22-11-13-44(14-12-22)18-32-39-28-16-24(8-10-29(28)43(32)3)38-35(45)23-7-9-27-25(15-23)21(2)41-42-27/h4-11,15-16H,12-14,18-19H2,1-3H3,(H,38,45)(H,41,42)
• InChIKey: YGUYJBMRUXXFMB-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.75
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?

The IUPAC name of N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide (CID 169168954) is N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide.

What is the SMILES notation for N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?

The canonical SMILES for N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide is Cc1c(C#N)sc(COc2cccc(C3=CCN(Cc4nc5cc(NC(=O)c6ccc7n[nH]c(C)c7c6)ccc5n4C)CC3)n2)c1F.

What is the InChIKey of N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?

The InChIKey is YGUYJBMRUXXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN8O2S/c1-20-30(17-37)47-31(34(20)36)19-46-33-6-4-5-26(40-33)22-11-13-44(14-12-22)18-32-39-28-16-24(8-10-29(28)43(32)3)38-35(45)23-7-9-27-25(15-23)21(2)41-42-27/h4-11,15-16H,12-14,18-19H2,1-3H3,(H,38,45)(H,41,42).

What are the key properties of N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?

N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide has a molecular weight of 646.75 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 169168954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).