1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one

C25H25FN4O2 — CID 46364376

IUPAC1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C25H25FN4O2/c1-17-24-22(7-4-8-23(24)31)30(27-17)19-11-9-18(10-12-19)25(32)29-15-13-28(14-16-29)21-6-3-2-5-20(21)26/h2-3,5-6,9-12H,4,7-8,13-16H2,1H3
InChIKeySHUAIRGZYNKNTL-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.80
Rot. Bonds3

About 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one

1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 46364376) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID46364376
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C25H25FN4O2/c1-17-24-22(7-4-8-23(24)31)30(27-17)19-11-9-18(10-12-19)25(32)29-15-13-28(14-16-29)21-6-3-2-5-20(21)26/h2-3,5-6,9-12H,4,7-8,13-16H2,1H3
InChIKeySHUAIRGZYNKNTL-UHFFFAOYSA-N
XLogP3.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one with MolForge

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Related Compounds

3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 46364370
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
1-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 46364400
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 53097562
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55487253
3-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 82590947
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 4040935
2-fluoro-6-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]benzonitrile
CID 38617731
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one (CID 46364376) is 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)c2c1C(=O)CCC2.
What is the InChIKey of 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is SHUAIRGZYNKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-24-22(7-4-8-23(24)31)30(27-17)19-11-9-18(10-12-19)25(32)29-15-13-28(14-16-29)21-6-3-2-5-20(21)26/h2-3,5-6,9-12H,4,7-8,13-16H2,1H3.
What are the key properties of 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one?
1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 432.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 46364376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).