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

C35H34FN5O4S — CID 176624251

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

4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 176624251) has the molecular formula C35H34FN5O4S and a molecular weight of 639.75 g/mol. Its IUPAC name is 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
• PubChem CID: 176624251
• Molecular Formula: C35H34FN5O4S
• Molecular Weight: 639.75 g/mol
• Exact Mass: 639.23
• IUPAC Name: 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
• SMILES: Cc1nnc(-c2c(C[C@@H](O)c3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)N[C@H]3CCc4ccccc43)s2)o1
• InChI: InChI=1S/C35H34FN5O4S/c1-18(2)16-25-30(33(37)43)32(28-14-15-29(46-28)34(44)39-24-13-10-20-6-4-5-7-23(20)24)31(35-41-40-19(3)45-35)26(38-25)17-27(42)21-8-11-22(36)12-9-21/h4-9,11-12,14-15,18,24,27,42H,10,13,16-17H2,1-3H3,(H2,37,43)(H,39,44)/t24-,27+/m0/s1
• InChIKey: ZXBQHVBDUUKBPK-RPLLCQBOSA-N
• XLogP: 6.30
• TPSA: 144.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.75
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (CID 176624251) is 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

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

The canonical SMILES for 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is Cc1nnc(-c2c(C[C@@H](O)c3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)N[C@H]3CCc4ccccc43)s2)o1.

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

The InChIKey is ZXBQHVBDUUKBPK-RPLLCQBOSA-N. The full InChI is InChI=1S/C35H34FN5O4S/c1-18(2)16-25-30(33(37)43)32(28-14-15-29(46-28)34(44)39-24-13-10-20-6-4-5-7-23(20)24)31(35-41-40-19(3)45-35)26(38-25)17-27(42)21-8-11-22(36)12-9-21/h4-9,11-12,14-15,18,24,27,42H,10,13,16-17H2,1-3H3,(H2,37,43)(H,39,44)/t24-,27+/m0/s1.

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

4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 639.75 g/mol, XLogP of 6.30, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 176624251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).