4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

C35H33F2N5O3S — CID 176624111

About 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 176624111) has the molecular formula C35H33F2N5O3S and a molecular weight of 641.74 g/mol. Its IUPAC name is 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
• PubChem CID: 176624111
• Molecular Formula: C35H33F2N5O3S
• Molecular Weight: 641.74 g/mol
• Exact Mass: 641.23
• IUPAC Name: 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
• SMILES: Cc1nnc(-c2c(CCc3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)NC3CCc4c(F)cccc43)s2)o1
• InChI: InChI=1S/C35H33F2N5O3S/c1-18(2)17-27-30(33(38)43)32(28-15-16-29(46-28)34(44)40-25-14-12-22-23(25)5-4-6-24(22)37)31(35-42-41-19(3)45-35)26(39-27)13-9-20-7-10-21(36)11-8-20/h4-8,10-11,15-16,18,25H,9,12-14,17H2,1-3H3,(H2,38,43)(H,40,44)
• InChIKey: LKZCLLOJFBYVKL-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 124.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.74
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?

The IUPAC name of 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (CID 176624111) is 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?

The canonical SMILES for 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is Cc1nnc(-c2c(CCc3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)NC3CCc4c(F)cccc43)s2)o1.

What is the InChIKey of 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?

The InChIKey is LKZCLLOJFBYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2N5O3S/c1-18(2)17-27-30(33(38)43)32(28-15-16-29(46-28)34(44)40-25-14-12-22-23(25)5-4-6-24(22)37)31(35-42-41-19(3)45-35)26(39-27)13-9-20-7-10-21(36)11-8-20/h4-8,10-11,15-16,18,25H,9,12-14,17H2,1-3H3,(H2,38,43)(H,40,44).

What are the key properties of 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?

4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 641.74 g/mol, XLogP of 6.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 176624111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).