2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C31H29FN4OS — CID 88883658

IUPAC2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(C1CCCCC1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C31H29FN4OS/c32-25-12-14-26(15-13-25)36-27-16-11-23(19-24(27)20-34-36)28(21-7-3-1-4-8-21)29(22-9-5-2-6-10-22)30(37)35-31-33-17-18-38-31/h1,3-4,7-8,11-20,22,28-29H,2,5-6,9-10H2,(H,33,35,37)
InChIKeyZWJREVOQBZIJKE-UHFFFAOYSA-N
MW524.67 g/mol
LogP7.59
Rot. Bonds7

About 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88883658) has the molecular formula C31H29FN4OS and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID88883658
Molecular FormulaC31H29FN4OS
Molecular Weight524.67 g/mol
Exact Mass524.20
IUPAC Name2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(C1CCCCC1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C31H29FN4OS/c32-25-12-14-26(15-13-25)36-27-16-11-23(19-24(27)20-34-36)28(21-7-3-1-4-8-21)29(22-9-5-2-6-10-22)30(37)35-31-33-17-18-38-31/h1,3-4,7-8,11-20,22,28-29H,2,5-6,9-10H2,(H,33,35,37)
InChIKeyZWJREVOQBZIJKE-UHFFFAOYSA-N
XLogP7.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 88883658) is 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(C1CCCCC1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZWJREVOQBZIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4OS/c32-25-12-14-26(15-13-25)36-27-16-11-23(19-24(27)20-34-36)28(21-7-3-1-4-8-21)29(22-9-5-2-6-10-22)30(37)35-31-33-17-18-38-31/h1,3-4,7-8,11-20,22,28-29H,2,5-6,9-10H2,(H,33,35,37).
What are the key properties of 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 524.67 g/mol, XLogP of 7.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88883658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).