2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile

C18H16FN5O — CID 56861424

IUPAC2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(F)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N)c1C#N
InChIInChI=1S/C18H16FN5O/c1-9-17(10(2)24-23-9)15-7-12(14(8-20)18(21)22-15)13-6-11(19)4-5-16(13)25-3/h4-7H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyOORMWWJQKARTDT-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 56861424) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID56861424
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(F)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N)c1C#N
InChIInChI=1S/C18H16FN5O/c1-9-17(10(2)24-23-9)15-7-12(14(8-20)18(21)22-15)13-6-11(19)4-5-16(13)25-3/h4-7H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyOORMWWJQKARTDT-UHFFFAOYSA-N
XLogP3.36
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile (CID 56861424) is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(F)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is OORMWWJQKARTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-9-17(10(2)24-23-9)15-7-12(14(8-20)18(21)22-15)13-6-11(19)4-5-16(13)25-3/h4-7H,1-3H3,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 337.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56861424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).