[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C23H24FN3O2 — CID 22518227

IUPAC[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]c3C)CC2)c1
InChIInChI=1S/C23H24FN3O2/c1-16-21(15-22(25-16)17-6-8-18(24)9-7-17)23(28)27-12-10-26(11-13-27)19-4-3-5-20(14-19)29-2/h3-9,14-15,25H,10-13H2,1-2H3
InChIKeyACOCVPBXFYMYNV-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.10
Rot. Bonds4

About [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 22518227) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID22518227
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]c3C)CC2)c1
InChIInChI=1S/C23H24FN3O2/c1-16-21(15-22(25-16)17-6-8-18(24)9-7-17)23(28)27-12-10-26(11-13-27)19-4-3-5-20(14-19)29-2/h3-9,14-15,25H,10-13H2,1-2H3
InChIKeyACOCVPBXFYMYNV-UHFFFAOYSA-N
XLogP4.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone 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

6-Methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 378228
Pyrrolopyridine, 29
CID 16720207
4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493993
N-[2-(dimethylamino)ethyl]-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493995
2-Methoxyruteacaprine
CID 135427256
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
(4-methoxyphenyl)[1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-yl]methanone
CID 2739969
(4-ethylpiperazin-1-yl)(6-methoxy-1H-indol-2-yl)methanone
CID 4905025
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 4909393

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 22518227) is [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]c3C)CC2)c1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ACOCVPBXFYMYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-21(15-22(25-16)17-6-8-18(24)9-7-17)23(28)27-12-10-26(11-13-27)19-4-3-5-20(14-19)29-2/h3-9,14-15,25H,10-13H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 393.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22518227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).