methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate

C23H18FN3O3S — CID 67078580

IUPACmethyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C23H18FN3O3S/c1-30-23(29)15-6-9-17(25-12-15)13-26-22(28)21-18(14-4-7-16(24)8-5-14)11-19(27-21)20-3-2-10-31-20/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyOCFQHQCYJISNLA-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.66
Rot. Bonds6

About methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate

methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate (PubChem CID 67078580) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate
PubChem CID67078580
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Namemethyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C23H18FN3O3S/c1-30-23(29)15-6-9-17(25-12-15)13-26-22(28)21-18(14-4-7-16(24)8-5-14)11-19(27-21)20-3-2-10-31-20/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyOCFQHQCYJISNLA-UHFFFAOYSA-N
XLogP4.66
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
ethyl 4-({[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetyl}amino)benzoate
CID 2203061
methyl 5-[4-[3-[(3-methylthiophene-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
CID 51001710
6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
CID 51039068
methyl 5-(4-{[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenyl]thio}pyridin-2-yl)-1H-pyrrole-3-carboxylate
CID 67042749
methyl 3-{2-[(benzylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3847682
Methyl 4-({5-oxo-6-[(thiophen-2-YL)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-7-YL}amino)benzoate
CID 16193884
Ethyl 5-(4-fluorophenyl)-2-methyl-1-({[(thiophen-2-YL)methyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylate
CID 20969536
Methyl 4-[[5-(5-acetylthiophen-2-yl)-6-(3-methylphenyl)pyridine-3-carbonyl]amino]thiophene-3-carboxylate
CID 172434836
Ethyl 5-(4-methylphenyl)-1-(3-{[(thiophen-2-YL)methyl]carbamoyl}propyl)-1H-pyrrole-3-carboxylate
CID 20969579
Ethyl 1-benzyl-4-(3-fluorophenyl)-3-(thiophene-2-amido)-1H-pyrrole-2-carboxylate
CID 46102199
4-(4-fluorophenyl)-N-{[2-(thiophen-3-yl)pyridin-4-yl]methyl}-1H-pyrrole-2-carboxamide
CID 91625646

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate (CID 67078580) is methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1.
What is the InChIKey of methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate?
The InChIKey is OCFQHQCYJISNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-30-23(29)15-6-9-17(25-12-15)13-26-22(28)21-18(14-4-7-16(24)8-5-14)11-19(27-21)20-3-2-10-31-20/h2-12,27H,13H2,1H3,(H,26,28).
What are the key properties of methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate?
methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 67078580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).