1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide

C22H23F3N4O2 — CID 77464467

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(F)(F)F)cc2c1cnn2C1CCCC1
InChIInChI=1S/C22H23F3N4O2/c1-12-7-13(2)28-21(31)17(12)10-26-20(30)16-8-14(22(23,24)25)9-19-18(16)11-27-29(19)15-5-3-4-6-15/h7-9,11,15,17H,3-6,10H2,1-2H3,(H,26,30)
InChIKeyHITCNKSEGNURDT-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.46
Rot. Bonds4

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide (PubChem CID 77464467) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide
PubChem CID77464467
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(F)(F)F)cc2c1cnn2C1CCCC1
InChIInChI=1S/C22H23F3N4O2/c1-12-7-13(2)28-21(31)17(12)10-26-20(30)16-8-14(22(23,24)25)9-19-18(16)11-27-29(19)15-5-3-4-6-15/h7-9,11,15,17H,3-6,10H2,1-2H3,(H,26,30)
InChIKeyHITCNKSEGNURDT-UHFFFAOYSA-N
XLogP4.46
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide (CID 77464467) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(F)(F)F)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide?
The InChIKey is HITCNKSEGNURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-12-7-13(2)28-21(31)17(12)10-26-20(30)16-8-14(22(23,24)25)9-19-18(16)11-27-29(19)15-5-3-4-6-15/h7-9,11,15,17H,3-6,10H2,1-2H3,(H,26,30).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide is sourced from PubChem (CID 77464467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).