6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde

C25H19F3N4O2 — CID 158652586

IUPAC6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)n2nc(C=O)cc2C1
InChIInChI=1S/C25H19F3N4O2/c1-14-8-20-11-19(13-33)31-32(20)24(16-3-5-18(6-4-16)25(26,27)28)23(14)22(34)10-15-2-7-21-17(9-15)12-29-30-21/h2-7,9,11-13,24H,8,10H2,1H3,(H,29,30)
InChIKeyIBSSJQQLLBOQLP-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.86
Rot. Bonds5

About 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde

6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde (PubChem CID 158652586) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde
PubChem CID158652586
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)n2nc(C=O)cc2C1
InChIInChI=1S/C25H19F3N4O2/c1-14-8-20-11-19(13-33)31-32(20)24(16-3-5-18(6-4-16)25(26,27)28)23(14)22(34)10-15-2-7-21-17(9-15)12-29-30-21/h2-7,9,11-13,24H,8,10H2,1H3,(H,29,30)
InChIKeyIBSSJQQLLBOQLP-UHFFFAOYSA-N
XLogP4.86
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
(1H-Indazol-3-yl)(2-{[(1H-indazol-5-yl)methyl]amino}phenyl)methanone
CID 44577740
(1H-Indazol-3-yl)(2-{[(1H-indazol-6-yl)methyl]amino}phenyl)methanone
CID 44577741
(2-((1H-indazol-6-yl)methylamino)phenyl)(1-methyl-1H-indazol-3-yl)methanone
CID 44577793
(2-((1H-indazol-6-yl)methylamino)phenyl)(5-methyl-1H-indol-3-yl)methanone
CID 44577943
(2-((1H-indazol-6-yl)methylamino)phenyl)(7-methyl-1H-indol-3-yl)methanone
CID 44577985
1-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 52933949
N-(1-(3-((dimethylamino)methyl)benzyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259557
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
(3,3-difluoroazetidin-1-yl)-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanone
CID 118959784
3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide
CID 118959791
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 118959844

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde?
The IUPAC name of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde (CID 158652586) is 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde is CC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)n2nc(C=O)cc2C1.
What is the InChIKey of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde?
The InChIKey is IBSSJQQLLBOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-14-8-20-11-19(13-33)31-32(20)24(16-3-5-18(6-4-16)25(26,27)28)23(14)22(34)10-15-2-7-21-17(9-15)12-29-30-21/h2-7,9,11-13,24H,8,10H2,1H3,(H,29,30).
What are the key properties of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde?
6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde has a molecular weight of 464.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 158652586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).