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

C24H27FN4O3 — CID 10343077

IUPACmethyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)c(NCCN2CCOCC2)n1C
InChIInChI=1S/C24H27FN4O3/c1-28-22(24(30)31-2)20(18-7-9-26-10-8-18)21(17-3-5-19(25)6-4-17)23(28)27-11-12-29-13-15-32-16-14-29/h3-10,27H,11-16H2,1-2H3
InChIKeyGLFIYDJMGLNUIF-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.42
Rot. Bonds7

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

methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 10343077) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID10343077
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Namemethyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)c(NCCN2CCOCC2)n1C
InChIInChI=1S/C24H27FN4O3/c1-28-22(24(30)31-2)20(18-7-9-26-10-8-18)21(17-3-5-19(25)6-4-17)23(28)27-11-12-29-13-15-32-16-14-29/h3-10,27H,11-16H2,1-2H3
InChIKeyGLFIYDJMGLNUIF-UHFFFAOYSA-N
XLogP3.42
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate with MolForge

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Related Compounds

Methyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-5-pyrrolidin-1-ylpyrrole-2-carboxylate
CID 10249125
3-(4-Fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 10386733
Methyl 5-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419766
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419771
Methyl 3-(4-fluorophenyl)-1-methyl-5-morpholin-4-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419777
3-(4-Fluorophenyl)-1-methyl-4-(4-pyridinyl)-5-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419781
Methyl 3-(4-fluorophenyl)-1-methyl-5-(piperidin-4-ylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419782
Methyl 5-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419787
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperidin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419788
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419791
Methyl 3-(4-fluorophenyl)-1-methyl-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419792
1-[3-(4-Fluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrol-2-yl]ethanone
CID 44419800

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate (CID 10343077) is methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)c(NCCN2CCOCC2)n1C.
What is the InChIKey of methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is GLFIYDJMGLNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-28-22(24(30)31-2)20(18-7-9-26-10-8-18)21(17-3-5-19(25)6-4-17)23(28)27-11-12-29-13-15-32-16-14-29/h3-10,27H,11-16H2,1-2H3.
What are the key properties of methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate?
methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 438.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-3-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 10343077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).