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

C22H23FN4O2 — CID 69188633

IUPAC1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESC[C@H]1CN(CC(=O)c2ccc(F)cc2)CCN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C22H23FN4O2/c1-15-13-26(14-20(28)16-7-9-17(23)10-8-16)11-12-27(15)22(29)21-18-5-3-4-6-19(18)25(2)24-21/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyDLSQHBRJQIOZMV-HNNXBMFYSA-N
MW394.45 g/mol
LogP2.74
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 69188633) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID69188633
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESC[C@H]1CN(CC(=O)c2ccc(F)cc2)CCN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C22H23FN4O2/c1-15-13-26(14-20(28)16-7-9-17(23)10-8-16)11-12-27(15)22(29)21-18-5-3-4-6-19(18)25(2)24-21/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyDLSQHBRJQIOZMV-HNNXBMFYSA-N
XLogP2.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24937693
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
CID 162324070
2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
CID 166081458
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-amino-3-chloro-1-[(2S)-4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpiperazin-1-yl]-4-methyliminobut-2-en-1-one
CID 143653771
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
(1-methylindazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 87052010
(4-bromo-1-methylpyrazol-3-yl)-[(2R)-4-[2-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]methanone
CID 24811533

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone (CID 69188633) is 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone is C[C@H]1CN(CC(=O)c2ccc(F)cc2)CCN1C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DLSQHBRJQIOZMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-13-26(14-20(28)16-7-9-17(23)10-8-16)11-12-27(15)22(29)21-18-5-3-4-6-19(18)25(2)24-21/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 394.45 g/mol, XLogP of 2.74, 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-[(3S)-3-methyl-4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 69188633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).