1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone

C21H21FN4O2 — CID 24937693

IUPAC1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCn1nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H21FN4O2/c1-24-18-5-3-2-4-17(18)20(23-24)21(28)26-12-10-25(11-13-26)14-19(27)15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3
InChIKeyMLWHPDRXFUYHBP-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24937693) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID24937693
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCn1nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H21FN4O2/c1-24-18-5-3-2-4-17(18)20(23-24)21(28)26-12-10-25(11-13-26)14-19(27)15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3
InChIKeyMLWHPDRXFUYHBP-UHFFFAOYSA-N
XLogP2.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 69188633
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(4-bromo-1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 46901764
(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 90653710
2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24936428
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone (CID 24937693) is 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone is Cn1nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MLWHPDRXFUYHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-24-18-5-3-2-4-17(18)20(23-24)21(28)26-12-10-25(11-13-26)14-19(27)15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 380.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24937693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).