2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide

C20H17FN4O2 — CID 144991281

IUPAC2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide
SMILESCOc1ccc(CC2C(c3ccc(C#N)c(F)c3)=NC(C(N)=O)=C2C)cn1
InChIInChI=1S/C20H17FN4O2/c1-11-15(7-12-3-6-17(27-2)24-10-12)19(25-18(11)20(23)26)13-4-5-14(9-22)16(21)8-13/h3-6,8,10,15H,7H2,1-2H3,(H2,23,26)
InChIKeyDWCGODKLTDWFGE-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide

2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide (PubChem CID 144991281) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide
PubChem CID144991281
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide
SMILESCOc1ccc(CC2C(c3ccc(C#N)c(F)c3)=NC(C(N)=O)=C2C)cn1
InChIInChI=1S/C20H17FN4O2/c1-11-15(7-12-3-6-17(27-2)24-10-12)19(25-18(11)20(23)26)13-4-5-14(9-22)16(21)8-13/h3-6,8,10,15H,7H2,1-2H3,(H2,23,26)
InChIKeyDWCGODKLTDWFGE-UHFFFAOYSA-N
XLogP2.52
TPSA101.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide 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

2-fluoro-4-[3-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-5-(piperidine-1-carbonyl)-4-(trifluoromethyl)-3H-pyrrol-2-yl]benzonitrile
CID 144991329
2-fluoro-4-[3-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-(piperidine-1-carbonyl)-4-(trifluoromethyl)-3H-pyrrol-2-yl]benzonitrile
CID 166907917
3-[2-(4-cyano-3-fluorophenyl)-3-[(4-cyclopropylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-3H-pyrrol-4-yl]propanoic acid
CID 144991152
(4-cyano-3-fluorophenyl) (5-dodecyl-2-pyridinyl) carbonate
CID 70435629
4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide
CID 123746182
4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile
CID 118614550
4-[3-[2-(2,3-dimethylindazol-5-yl)ethyl]-4-fluoro-5-(piperidine-1-carbonyl)-3H-pyrrol-2-yl]-2-fluorobenzonitrile
CID 166907848
4-[5-(4,4-difluorobut-3-enyl)pyrimidin-2-yl]-2-fluorobenzonitrile
CID 162548324
methyl 2-amino-3-[4-(4-cyano-3-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66718448
2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile
CID 171773374
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314
2-fluoro-4-[3-[2-(7-fluoro-2-methylindazol-5-yl)ethyl]-4-methyl-5-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]-3H-pyrrol-2-yl]benzonitrile
CID 144991285

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide?
The IUPAC name of 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide (CID 144991281) is 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide.
What is the SMILES notation for 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide?
The canonical SMILES for 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide is COc1ccc(CC2C(c3ccc(C#N)c(F)c3)=NC(C(N)=O)=C2C)cn1.
What is the InChIKey of 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide?
The InChIKey is DWCGODKLTDWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-11-15(7-12-3-6-17(27-2)24-10-12)19(25-18(11)20(23)26)13-4-5-14(9-22)16(21)8-13/h3-6,8,10,15H,7H2,1-2H3,(H2,23,26).
What are the key properties of 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide?
2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 144991281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).