2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile

C18H16FN5 — CID 56865430

IUPAC2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1nn(C)c(C)c1-c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1
InChIInChI=1S/C18H16FN5/c1-10-17(11(2)24(3)23-10)16-8-14(15(9-20)18(21)22-16)12-4-6-13(19)7-5-12/h4-8H,1-3H3,(H2,21,22)
InChIKeyCQOPFYLKURBQAP-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.36
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56865430) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56865430
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1nn(C)c(C)c1-c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1
InChIInChI=1S/C18H16FN5/c1-10-17(11(2)24(3)23-10)16-8-14(15(9-20)18(21)22-16)12-4-6-13(19)7-5-12/h4-8H,1-3H3,(H2,21,22)
InChIKeyCQOPFYLKURBQAP-UHFFFAOYSA-N
XLogP3.36
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56865430) is 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile is Cc1nn(C)c(C)c1-c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is CQOPFYLKURBQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-10-17(11(2)24(3)23-10)16-8-14(15(9-20)18(21)22-16)12-4-6-13(19)7-5-12/h4-8H,1-3H3,(H2,21,22).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 321.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56865430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).