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

C36H36FN5O4S — CID 176624243

IUPAC6-[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
SMILESCOc1cccc2c1CCC2NC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc(CCc3ccc(F)cc3)c2-c2nnc(C)o2)s1
InChIInChI=1S/C36H36FN5O4S/c1-19(2)18-27-31(34(38)43)33(32(36-42-41-20(3)46-36)26(39-27)14-10-21-8-11-22(37)12-9-21)29-16-17-30(47-29)35(44)40-25-15-13-24-23(25)6-5-7-28(24)45-4/h5-9,11-12,16-17,19,25H,10,13-15,18H2,1-4H3,(H2,38,43)(H,40,44)
InChIKeyUQTQXZYITIZWCX-UHFFFAOYSA-N
MW653.78 g/mol
LogP6.82
Rot. Bonds11

About 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

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 (PubChem CID 176624243) has the molecular formula C36H36FN5O4S and a molecular weight of 653.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID176624243
Molecular FormulaC36H36FN5O4S
Molecular Weight653.78 g/mol
Exact Mass653.25
IUPAC Name6-[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
SMILESCOc1cccc2c1CCC2NC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc(CCc3ccc(F)cc3)c2-c2nnc(C)o2)s1
InChIInChI=1S/C36H36FN5O4S/c1-19(2)18-27-31(34(38)43)33(32(36-42-41-20(3)46-36)26(39-27)14-10-21-8-11-22(37)12-9-21)29-16-17-30(47-29)35(44)40-25-15-13-24-23(25)6-5-7-28(24)45-4/h5-9,11-12,16-17,19,25H,10,13-15,18H2,1-4H3,(H2,38,43)(H,40,44)
InChIKeyUQTQXZYITIZWCX-UHFFFAOYSA-N
XLogP6.82
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc2c1CCC2NC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc(CCc3ccc(F)cc3)c2-c2nnc(C)o2)s1.
What is the InChIKey of 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?
The InChIKey is UQTQXZYITIZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36FN5O4S/c1-19(2)18-27-31(34(38)43)33(32(36-42-41-20(3)46-36)26(39-27)14-10-21-8-11-22(37)12-9-21)29-16-17-30(47-29)35(44)40-25-15-13-24-23(25)6-5-7-28(24)45-4/h5-9,11-12,16-17,19,25H,10,13-15,18H2,1-4H3,(H2,38,43)(H,40,44).
What are the key properties of 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?
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 has a molecular weight of 653.78 g/mol, XLogP of 6.82, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176624243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).