3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide

C25H19ClF3N3O — CID 134522116

IUPAC3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(NC1CCC(F)(F)C1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H19ClF3N3O/c26-21-4-2-1-3-19(21)23-20-10-5-15(24(33)30-17-11-12-25(28,29)14-17)13-22(20)32(31-23)18-8-6-16(27)7-9-18/h1-10,13,17H,11-12,14H2,(H,30,33)
InChIKeyBBFSJSUYOANEJF-UHFFFAOYSA-N
MW469.89 g/mol
LogP6.40
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide

3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522116) has the molecular formula C25H19ClF3N3O and a molecular weight of 469.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522116
Molecular FormulaC25H19ClF3N3O
Molecular Weight469.89 g/mol
Exact Mass469.12
IUPAC Name3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(NC1CCC(F)(F)C1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H19ClF3N3O/c26-21-4-2-1-3-19(21)23-20-10-5-15(24(33)30-17-11-12-25(28,29)14-17)13-22(20)32(31-23)18-8-6-16(27)7-9-18/h1-10,13,17H,11-12,14H2,(H,30,33)
InChIKeyBBFSJSUYOANEJF-UHFFFAOYSA-N
XLogP6.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.89
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522116) is 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(NC1CCC(F)(F)C1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is BBFSJSUYOANEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O/c26-21-4-2-1-3-19(21)23-20-10-5-15(24(33)30-17-11-12-25(28,29)14-17)13-22(20)32(31-23)18-8-6-16(27)7-9-18/h1-10,13,17H,11-12,14H2,(H,30,33).
What are the key properties of 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 469.89 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3,3-difluorocyclopentyl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).