4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

C35H35FN6O3S — CID 176673234

IUPAC4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1nnc(-c2c(C[C@H](C)c3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)NC3CCc4ncccc43)s2)o1
InChIInChI=1S/C35H35FN6O3S/c1-18(2)16-26-30(33(37)43)32(28-13-14-29(46-28)34(44)40-25-12-11-24-23(25)6-5-15-38-24)31(35-42-41-20(4)45-35)27(39-26)17-19(3)21-7-9-22(36)10-8-21/h5-10,13-15,18-19,25H,11-12,16-17H2,1-4H3,(H2,37,43)(H,40,44)/t19-,25?/m0/s1
InChIKeyRUOJUJOFQNLUIY-UBDBMELISA-N
MW638.77 g/mol
LogP6.76
Rot. Bonds10

About 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 176673234) has the molecular formula C35H35FN6O3S and a molecular weight of 638.77 g/mol. Its IUPAC name is 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID176673234
Molecular FormulaC35H35FN6O3S
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1nnc(-c2c(C[C@H](C)c3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)NC3CCc4ncccc43)s2)o1
InChIInChI=1S/C35H35FN6O3S/c1-18(2)16-26-30(33(37)43)32(28-13-14-29(46-28)34(44)40-25-12-11-24-23(25)6-5-15-38-24)31(35-42-41-20(4)45-35)27(39-26)17-19(3)21-7-9-22(36)10-8-21/h5-10,13-15,18-19,25H,11-12,16-17H2,1-4H3,(H2,37,43)(H,40,44)/t19-,25?/m0/s1
InChIKeyRUOJUJOFQNLUIY-UBDBMELISA-N
XLogP6.76
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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
4-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2S)-2-fluoro-2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624257
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
6-[2-(4-fluorophenyl)ethyl]-4-[5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624243
4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 177220799
6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide
CID 176673191
4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 177220975
N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide
CID 176636481
ethanimidoyl 5-carbamoyl-4-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-2-[2-fluoro-2-(4-fluorophenyl)ethyl]-6-(2-methylpropyl)pyridine-3-carboximidate
CID 176624166
5-[(9aS)-2-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 176636244
4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624170
5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 176635798

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (CID 176673234) is 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is Cc1nnc(-c2c(C[C@H](C)c3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2ccc(C(=O)NC3CCc4ncccc43)s2)o1.
What is the InChIKey of 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is RUOJUJOFQNLUIY-UBDBMELISA-N. The full InChI is InChI=1S/C35H35FN6O3S/c1-18(2)16-26-30(33(37)43)32(28-13-14-29(46-28)34(44)40-25-12-11-24-23(25)6-5-15-38-24)31(35-42-41-20(4)45-35)27(39-26)17-19(3)21-7-9-22(36)10-8-21/h5-10,13-15,18-19,25H,11-12,16-17H2,1-4H3,(H2,37,43)(H,40,44)/t19-,25?/m0/s1.
What are the key properties of 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 638.77 g/mol, XLogP of 6.76, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 176673234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).