2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine

C25H24FN5O — CID 144996698

IUPAC2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine
SMILESC1CCNC1.COc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n2cnnc12
InChIInChI=1S/C21H15FN4O.C4H9N/c1-13-3-5-14(6-4-13)20-17(15-7-8-16(11-23)18(22)9-15)10-19(27-2)21-25-24-12-26(20)21;1-2-4-5-3-1/h3-10,12H,1-2H3;5H,1-4H2
InChIKeyICZNBSLQKSSNGM-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.76
Rot. Bonds3

About 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine

2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine (PubChem CID 144996698) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine.

Molecular Properties

Compound Name2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine
PubChem CID144996698
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine
SMILESC1CCNC1.COc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n2cnnc12
InChIInChI=1S/C21H15FN4O.C4H9N/c1-13-3-5-14(6-4-13)20-17(15-7-8-16(11-23)18(22)9-15)10-19(27-2)21-25-24-12-26(20)21;1-2-4-5-3-1/h3-10,12H,1-2H3;5H,1-4H2
InChIKeyICZNBSLQKSSNGM-UHFFFAOYSA-N
XLogP4.76
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluorophenyl)-8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridine;pyrrolidine
CID 144996955
4-[1-(azepan-4-yl)-3-(3-fluoro-4-methoxyphenyl)pyrazol-4-yl]-2-fluorobenzonitrile
CID 163791356
2-(4-cyano-3-fluorophenyl)-6-(1,4-diazepan-1-yl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103086
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
2-fluoro-4-[2-(3-fluoro-4-methoxyphenyl)-5-(piperazine-1-carbonyl)thiophen-3-yl]benzonitrile
CID 171734921
6-(azepan-4-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 170120638
2-fluoro-4-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]benzonitrile
CID 129130560
4-[2-(1,4-diazepan-1-yl)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 122622013
4-[2-chloro-5-methyl-3-[(piperidin-3-ylmethylamino)methyl]phenyl]-2-fluorobenzonitrile
CID 171773335
4-[5-[(3S)-3-aminopiperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile
CID 129130555
2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-5-methyl-N-[(3R)-pyrrolidin-3-yl]imidazole-4-carboxamide
CID 135326463
2-fluoro-4-[2-(3-fluoro-4-methoxyphenyl)-5-(piperidine-1-carbonyl)thiophen-3-yl]benzonitrile
CID 174166067

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine?
The IUPAC name of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine (CID 144996698) is 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine.
What is the SMILES notation for 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine?
The canonical SMILES for 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine is C1CCNC1.COc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n2cnnc12.
What is the InChIKey of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine?
The InChIKey is ICZNBSLQKSSNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O.C4H9N/c1-13-3-5-14(6-4-13)20-17(15-7-8-16(11-23)18(22)9-15)10-19(27-2)21-25-24-12-26(20)21;1-2-4-5-3-1/h3-10,12H,1-2H3;5H,1-4H2.
What are the key properties of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine?
2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine has a molecular weight of 429.50 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine is sourced from PubChem (CID 144996698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).