7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile

C23H15FN4 — CID 10499128

IUPAC7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1ccc(-c2cc3c(C#N)c(-c4ccc(F)cc4)cc(CC#N)n3n2)cc1
InChIInChI=1S/C23H15FN4/c1-15-2-4-17(5-3-15)22-13-23-21(14-26)20(16-6-8-18(24)9-7-16)12-19(10-11-25)28(23)27-22/h2-9,12-13H,10H2,1H3
InChIKeyHIDULJBVEKTMPL-UHFFFAOYSA-N
MW366.40 g/mol
LogP5.05
Rot. Bonds3

About 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 10499128) has the molecular formula C23H15FN4 and a molecular weight of 366.40 g/mol. Its IUPAC name is 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID10499128
Molecular FormulaC23H15FN4
Molecular Weight366.40 g/mol
Exact Mass366.13
IUPAC Name7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1ccc(-c2cc3c(C#N)c(-c4ccc(F)cc4)cc(CC#N)n3n2)cc1
InChIInChI=1S/C23H15FN4/c1-15-2-4-17(5-3-15)22-13-23-21(14-26)20(16-6-8-18(24)9-7-16)12-19(10-11-25)28(23)27-22/h2-9,12-13H,10H2,1H3
InChIKeyHIDULJBVEKTMPL-UHFFFAOYSA-N
XLogP5.05
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
1,3-Diphenyl-1H-pyrazole-5-carbonitrile
CID 542822
2-(4-Fluorophenyl)-5-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836050
2-(4-Fluorophenyl)-7-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836051
2-(4-Fluorophenyl)-4-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879492
3,7-Dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine
CID 24758071
2-(2,4-Dimethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758072
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile
CID 57391350
US11161850, Example 20
CID 146307188
4-[1-(4-Fluorophenyl)indazol-5-yl]benzonitrile
CID 46830796

Frequently Asked Questions

What is the IUPAC name of 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 10499128) is 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile is Cc1ccc(-c2cc3c(C#N)c(-c4ccc(F)cc4)cc(CC#N)n3n2)cc1.
What is the InChIKey of 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is HIDULJBVEKTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4/c1-15-2-4-17(5-3-15)22-13-23-21(14-26)20(16-6-8-18(24)9-7-16)12-19(10-11-25)28(23)27-22/h2-9,12-13H,10H2,1H3.
What are the key properties of 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 366.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyanomethyl)-5-(4-fluorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 10499128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).