5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine

C22H19FN4O — CID 158117138

IUPAC5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(C2=C(c3ccncc3)N=C(c3ccc(C)cc3F)C2)cnc1N
InChIInChI=1S/C22H19FN4O/c1-13-3-4-16(18(23)9-13)19-11-17(15-10-20(28-2)22(24)26-12-15)21(27-19)14-5-7-25-8-6-14/h3-10,12H,11H2,1-2H3,(H2,24,26)
InChIKeyFRDNKNLZCUKLEZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.28
Rot. Bonds4

About 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine

5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine (PubChem CID 158117138) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
PubChem CID158117138
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(C2=C(c3ccncc3)N=C(c3ccc(C)cc3F)C2)cnc1N
InChIInChI=1S/C22H19FN4O/c1-13-3-4-16(18(23)9-13)19-11-17(15-10-20(28-2)22(24)26-12-15)21(27-19)14-5-7-25-8-6-14/h3-10,12H,11H2,1-2H3,(H2,24,26)
InChIKeyFRDNKNLZCUKLEZ-UHFFFAOYSA-N
XLogP4.28
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine 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

3-[4-(6-amino-5-methoxy-3-pyridinyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]-4-fluoro-N,N-dimethylbenzamide
CID 147716176
3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine
CID 161101816
5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
CID 160630541
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485
4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-methyl-3H-pyrrol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 158517565
5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine
CID 59137545
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
CID 59137482
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
3-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-N-fluoroanilino]-5-(2-fluoro-4-methylphenyl)-1H-pyridin-4-one
CID 129135615
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
The IUPAC name of 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine (CID 158117138) is 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
The canonical SMILES for 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine is COc1cc(C2=C(c3ccncc3)N=C(c3ccc(C)cc3F)C2)cnc1N.
What is the InChIKey of 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
The InChIKey is FRDNKNLZCUKLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-13-3-4-16(18(23)9-13)19-11-17(15-10-20(28-2)22(24)26-12-15)21(27-19)14-5-7-25-8-6-14/h3-10,12H,11H2,1-2H3,(H2,24,26).
What are the key properties of 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine?
5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine has a molecular weight of 374.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 158117138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).