methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate

C24H28FN5O2 — CID 59988520

IUPACmethyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NCCN2CCNCC2)n1C
InChIInChI=1S/C24H28FN5O2/c1-29-22(24(31)32-2)20(17-3-5-19(25)6-4-17)21(18-7-9-26-10-8-18)23(29)28-13-16-30-14-11-27-12-15-30/h3-10,27-28H,11-16H2,1-2H3
InChIKeyXGCJGDHOQOSYBP-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.00
Rot. Bonds7

About methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate

methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988520) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988520
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Namemethyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NCCN2CCNCC2)n1C
InChIInChI=1S/C24H28FN5O2/c1-29-22(24(31)32-2)20(17-3-5-19(25)6-4-17)21(18-7-9-26-10-8-18)23(29)28-13-16-30-14-11-27-12-15-30/h3-10,27-28H,11-16H2,1-2H3
InChIKeyXGCJGDHOQOSYBP-UHFFFAOYSA-N
XLogP3.00
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate 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

methyl 5-amino-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988420
methyl 3-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988435
methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988510
methyl 3-(4-fluorophenyl)-1-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988392
1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine
CID 59988445
methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
CID 22335623
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide
CID 43600424
4-(2-piperazin-1-ylethylamino)benzoic acid
CID 62230184
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
methyl 2-(piperazine-1-carbonyl)-5-pyridin-4-ylbenzoate
CID 22329728
ethyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988452

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate (CID 59988520) is methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NCCN2CCNCC2)n1C.
What is the InChIKey of methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is XGCJGDHOQOSYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-29-22(24(31)32-2)20(17-3-5-19(25)6-4-17)21(18-7-9-26-10-8-18)23(29)28-13-16-30-14-11-27-12-15-30/h3-10,27-28H,11-16H2,1-2H3.
What are the key properties of methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate?
methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 437.52 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperazin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).