(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one

C19H15F2N3O — CID 143312161

IUPAC(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1[nH]nc2c1C(=O)C[C@H](c1ccc(F)cc1-c1cccc(F)n1)C2
InChIInChI=1S/C19H15F2N3O/c1-10-19-16(24-23-10)7-11(8-17(19)25)13-6-5-12(20)9-14(13)15-3-2-4-18(21)22-15/h2-6,9,11H,7-8H2,1H3,(H,23,24)/t11-/m1/s1
InChIKeyKKYCQWHTIJCBNP-LLVKDONJSA-N
MW339.35 g/mol
LogP3.97
Rot. Bonds2

About (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one

(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one (PubChem CID 143312161) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one
PubChem CID143312161
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1[nH]nc2c1C(=O)C[C@H](c1ccc(F)cc1-c1cccc(F)n1)C2
InChIInChI=1S/C19H15F2N3O/c1-10-19-16(24-23-10)7-11(8-17(19)25)13-6-5-12(20)9-14(13)15-3-2-4-18(21)22-15/h2-6,9,11H,7-8H2,1H3,(H,23,24)/t11-/m1/s1
InChIKeyKKYCQWHTIJCBNP-LLVKDONJSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
CID 40713703
6-(2,5-dichlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one;hydrochloride
CID 18317678
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451789
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450112
(7S)-2-amino-7-[4-fluoro-2-(3-methylimidazo[4,5-b]pyrazin-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449502
(7S)-2-amino-7-[2-(5-amino-6-methoxy-3-methylpyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69453582
(7R)-7-(5-fluoro-2-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-one
CID 129364123
2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449507
2-amino-7-[2-(2-chloro-4-methoxypyrimidin-5-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87839785
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one (CID 143312161) is (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one is Cc1[nH]nc2c1C(=O)C[C@H](c1ccc(F)cc1-c1cccc(F)n1)C2.
What is the InChIKey of (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The InChIKey is KKYCQWHTIJCBNP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-10-19-16(24-23-10)7-11(8-17(19)25)13-6-5-12(20)9-14(13)15-3-2-4-18(21)22-15/h2-6,9,11H,7-8H2,1H3,(H,23,24)/t11-/m1/s1.
What are the key properties of (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one has a molecular weight of 339.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 143312161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).