6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one

C20H14F3N3O — CID 11210873

IUPAC6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one
SMILESCc1cccnc1-c1ccc2c(=O)n(-c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)25-26(19(16)27)15-7-5-14(6-8-15)20(21,22)23/h2-11,25H,1H3
InChIKeyNDCDEIBRKPCRDY-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.71
Rot. Bonds2

About 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one

6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one (PubChem CID 11210873) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one.

Molecular Properties

Compound Name6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one
PubChem CID11210873
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one
SMILESCc1cccnc1-c1ccc2c(=O)n(-c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)25-26(19(16)27)15-7-5-14(6-8-15)20(21,22)23/h2-11,25H,1H3
InChIKeyNDCDEIBRKPCRDY-UHFFFAOYSA-N
XLogP4.71
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

(3H)Cgs8216
CID 104916
2-(3-Pyridylmethyl)indazolinone
CID 129095
2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CID 6398883
Pyrrolopyridine, 26
CID 16720202
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
4-(aminomethyl)-N-[(1S)-1-[4-(3-oxo-1,2-dihydroindazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 127031390
2-(4-fluorophenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273072
2-(4-Ethynyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10107991
8-Ethynyl-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 11778675
2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 44342846
2-(2-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 145983744

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one?
The IUPAC name of 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one (CID 11210873) is 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one.
What is the SMILES notation for 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one?
The canonical SMILES for 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one is Cc1cccnc1-c1ccc2c(=O)n(-c3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one?
The InChIKey is NDCDEIBRKPCRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)25-26(19(16)27)15-7-5-14(6-8-15)20(21,22)23/h2-11,25H,1H3.
What are the key properties of 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one?
6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one has a molecular weight of 369.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1H-indazol-3-one is sourced from PubChem (CID 11210873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).