5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide

C34H28FN5O4S — CID 176636208

About 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide

5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide (PubChem CID 176636208) has the molecular formula C34H28FN5O4S and a molecular weight of 621.69 g/mol. Its IUPAC name is 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
• PubChem CID: 176636208
• Molecular Formula: C34H28FN5O4S
• Molecular Weight: 621.69 g/mol
• Exact Mass: 621.18
• IUPAC Name: 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
• SMILES: Cc1nnc(-c2c(COc3ccc(F)cc3)nc3c(c2-c2ccc(C(=O)N[C@@H]4CCc5ccccc54)s2)C(=O)N2CCC[C@@H]32)o1
• InChI: InChI=1S/C34H28FN5O4S/c1-18-38-39-33(44-18)28-24(17-43-21-11-9-20(35)10-12-21)36-31-25-7-4-16-40(25)34(42)30(31)29(28)26-14-15-27(45-26)32(41)37-23-13-8-19-5-2-3-6-22(19)23/h2-3,5-6,9-12,14-15,23,25H,4,7-8,13,16-17H2,1H3,(H,37,41)/t23-,25+/m1/s1
• InChIKey: CJFRNFROSJWPIL-NOZRDPDXSA-N
• XLogP: 6.59
• TPSA: 110.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.69
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide (CID 176636208) is 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide is Cc1nnc(-c2c(COc3ccc(F)cc3)nc3c(c2-c2ccc(C(=O)N[C@@H]4CCc5ccccc54)s2)C(=O)N2CCC[C@@H]32)o1.

What is the InChIKey of 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?

The InChIKey is CJFRNFROSJWPIL-NOZRDPDXSA-N. The full InChI is InChI=1S/C34H28FN5O4S/c1-18-38-39-33(44-18)28-24(17-43-21-11-9-20(35)10-12-21)36-31-25-7-4-16-40(25)34(42)30(31)29(28)26-14-15-27(45-26)32(41)37-23-13-8-19-5-2-3-6-22(19)23/h2-3,5-6,9-12,14-15,23,25H,4,7-8,13,16-17H2,1H3,(H,37,41)/t23-,25+/m1/s1.

What are the key properties of 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?

5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide has a molecular weight of 621.69 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 176636208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).