6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid

C20H17FN6O3 — CID 171339292

IUPAC6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid
SMILESCn1nnc2c3c(ccc21)C(c1cn[nH]c1-c1ccc(F)cc1)CC(=O)N3.O=CO
InChIInChI=1S/C19H15FN6O.CH2O2/c1-26-15-7-6-12-13(8-16(27)22-18(12)19(15)24-25-26)14-9-21-23-17(14)10-2-4-11(20)5-3-10;2-1-3/h2-7,9,13H,8H2,1H3,(H,21,23)(H,22,27);1H,(H,2,3)
InChIKeyYFPYTWREHYREDF-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.67
Rot. Bonds2

About 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid (PubChem CID 171339292) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid
PubChem CID171339292
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid
SMILESCn1nnc2c3c(ccc21)C(c1cn[nH]c1-c1ccc(F)cc1)CC(=O)N3.O=CO
InChIInChI=1S/C19H15FN6O.CH2O2/c1-26-15-7-6-12-13(8-16(27)22-18(12)19(15)24-25-26)14-9-21-23-17(14)10-2-4-11(20)5-3-10;2-1-3/h2-7,9,13H,8H2,1H3,(H,21,23)(H,22,27);1H,(H,2,3)
InChIKeyYFPYTWREHYREDF-UHFFFAOYSA-N
XLogP2.67
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid 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

6-(6-methoxy-2-pyridinyl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
CID 171908591
6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
CID 169413711
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655
3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135990253
(4S)-4-(1-methylbenzotriazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136737688
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 171906452
(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219861
(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95211804
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 169416286
(12R)-3-benzyl-12-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-one
CID 125123103
formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 171711631
(4R)-4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389870

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid?
The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid (CID 171339292) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid is Cn1nnc2c3c(ccc21)C(c1cn[nH]c1-c1ccc(F)cc1)CC(=O)N3.O=CO.
What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid?
The InChIKey is YFPYTWREHYREDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O.CH2O2/c1-26-15-7-6-12-13(8-16(27)22-18(12)19(15)24-25-26)14-9-21-23-17(14)10-2-4-11(20)5-3-10;2-1-3/h2-7,9,13H,8H2,1H3,(H,21,23)(H,22,27);1H,(H,2,3).
What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid?
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid has a molecular weight of 408.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid is sourced from PubChem (CID 171339292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).