N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C24H19F3N4O3 — CID 155751999

IUPACN-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2c(cnn2-c2ccc(C=O)cc2)cc1NC(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C24H19F3N4O3/c1-23(2,34)18-11-20-15(12-29-31(20)16-7-5-14(13-32)6-8-16)10-19(18)30-22(33)21-17(24(25,26)27)4-3-9-28-21/h3-13,34H,1-2H3,(H,30,33)
InChIKeyBOWMWMUPINUTSQ-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.73
Rot. Bonds5

About N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155751999) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155751999
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC NameN-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2c(cnn2-c2ccc(C=O)cc2)cc1NC(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C24H19F3N4O3/c1-23(2,34)18-11-20-15(12-29-31(20)16-7-5-14(13-32)6-8-16)10-19(18)30-22(33)21-17(24(25,26)27)4-3-9-28-21/h3-13,34H,1-2H3,(H,30,33)
InChIKeyBOWMWMUPINUTSQ-UHFFFAOYSA-N
XLogP4.73
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-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 N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 155751999) is N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2c(cnn2-c2ccc(C=O)cc2)cc1NC(=O)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BOWMWMUPINUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-23(2,34)18-11-20-15(12-29-31(20)16-7-5-14(13-32)6-8-16)10-19(18)30-22(33)21-17(24(25,26)27)4-3-9-28-21/h3-13,34H,1-2H3,(H,30,33).
What are the key properties of N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155751999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).