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

C18H16FN5O — CID 56879169

IUPAC2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1F
InChIInChI=1S/C18H16FN5O/c1-9-17(10(2)24-23-9)15-7-12(13(8-20)18(21)22-15)11-4-5-14(19)16(6-11)25-3/h4-7H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyXATOBVWZCYQWEM-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.36
Rot. Bonds3

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

2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 56879169) 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-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID56879169
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1F
InChIInChI=1S/C18H16FN5O/c1-9-17(10(2)24-23-9)15-7-12(13(8-20)18(21)22-15)11-4-5-14(19)16(6-11)25-3/h4-7H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyXATOBVWZCYQWEM-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-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile (CID 56879169) is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1F.
What is the InChIKey of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is XATOBVWZCYQWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-9-17(10(2)24-23-9)15-7-12(13(8-20)18(21)22-15)11-4-5-14(19)16(6-11)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-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56879169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).