methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate

C19H17FN2O2 — CID 59988490

IUPACmethyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C19H17FN2O2/c1-3-22-12-16(13-8-10-21-11-9-13)17(18(22)19(23)24-2)14-4-6-15(20)7-5-14/h4-12H,3H2,1-2H3
InChIKeyARBWCOXMVZEWQN-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.16
Rot. Bonds4

About methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate

methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988490) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988490
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C19H17FN2O2/c1-3-22-12-16(13-8-10-21-11-9-13)17(18(22)19(23)24-2)14-4-6-15(20)7-5-14/h4-12H,3H2,1-2H3
InChIKeyARBWCOXMVZEWQN-UHFFFAOYSA-N
XLogP4.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-isoquinolinecarboxylate
CID 725374
Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate
CID 363114
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate (CID 59988490) is methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate is CCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)c1C(=O)OC.
What is the InChIKey of methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is ARBWCOXMVZEWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-3-22-12-16(13-8-10-21-11-9-13)17(18(22)19(23)24-2)14-4-6-15(20)7-5-14/h4-12H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).