2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide

C61H59F3N10O7S2 — CID 176673187

About 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide

2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 176673187) has the molecular formula C61H59F3N10O7S2 and a molecular weight of 1165.33 g/mol. Its IUPAC name is 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 176673187
• Molecular Formula: C61H59F3N10O7S2
• Molecular Weight: 1165.33 g/mol
• Exact Mass: 1164.40
• IUPAC Name: 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CCc1nc(CC(C)CCOc2cccc(CNC(=O)c3ccc(-c4c(C(N)=O)c(CC(C)C)nc(CCc5ccc(F)cc5)c4-c4nnc(C)o4)s3)c2)c(C(N)=O)c(-c2ccc(C(=O)NCc3ccc(F)c(F)c3)s2)c1-c1nnc(C)o1
• InChI: InChI=1S/C61H59F3N10O7S2/c1-7-42-52(60-73-71-33(5)80-60)54(46-19-21-49(82-46)59(78)68-30-37-13-17-40(63)41(64)28-37)51(57(66)76)45(69-42)26-32(4)23-24-79-39-10-8-9-36(27-39)29-67-58(77)48-22-20-47(83-48)55-50(56(65)75)44(25-31(2)3)70-43(53(55)61-74-72-34(6)81-61)18-14-35-11-15-38(62)16-12-35/h8-13,15-17,19-22,27-28,31-32H,7,14,18,23-26,29-30H2,1-6H3,(H2,65,75)(H2,66,76)(H,67,77)(H,68,78)
• InChIKey: PUALVVUAQVPFLY-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 257.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.33
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide (CID 176673187) is 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide is CCc1nc(CC(C)CCOc2cccc(CNC(=O)c3ccc(-c4c(C(N)=O)c(CC(C)C)nc(CCc5ccc(F)cc5)c4-c4nnc(C)o4)s3)c2)c(C(N)=O)c(-c2ccc(C(=O)NCc3ccc(F)c(F)c3)s2)c1-c1nnc(C)o1.

What is the InChIKey of 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is PUALVVUAQVPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H59F3N10O7S2/c1-7-42-52(60-73-71-33(5)80-60)54(46-19-21-49(82-46)59(78)68-30-37-13-17-40(63)41(64)28-37)51(57(66)76)45(69-42)26-32(4)23-24-79-39-10-8-9-36(27-39)29-67-58(77)48-22-20-47(83-48)55-50(56(65)75)44(25-31(2)3)70-43(53(55)61-74-72-34(6)81-61)18-14-35-11-15-38(62)16-12-35/h8-13,15-17,19-22,27-28,31-32H,7,14,18,23-26,29-30H2,1-6H3,(H2,65,75)(H2,66,76)(H,67,77)(H,68,78).

What are the key properties of 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?

2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 1165.33 g/mol, XLogP of 11.32, 24 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[[[5-[5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-6-(2-methylpropyl)-4-pyridinyl]thiophene-2-carbonyl]amino]methyl]phenoxy]-2-methylbutyl]-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-6-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 176673187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).