2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile

C19H18FN5O2 — CID 56739874

IUPAC2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)cc1F
InChIInChI=1S/C19H18FN5O2/c1-11-15(10-25(24-11)5-6-26)13-8-17(23-19(22)14(13)9-21)12-3-4-18(27-2)16(20)7-12/h3-4,7-8,10,26H,5-6H2,1-2H3,(H2,22,23)
InChIKeyDOZMNDIUNPBDJP-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile

2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 56739874) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID56739874
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)cc1F
InChIInChI=1S/C19H18FN5O2/c1-11-15(10-25(24-11)5-6-26)13-8-17(23-19(22)14(13)9-21)12-3-4-18(27-2)16(20)7-12/h3-4,7-8,10,26H,5-6H2,1-2H3,(H2,22,23)
InChIKeyDOZMNDIUNPBDJP-UHFFFAOYSA-N
XLogP2.51
TPSA109.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile (CID 56739874) is 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)cc1F.
What is the InChIKey of 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is DOZMNDIUNPBDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-11-15(10-25(24-11)5-6-26)13-8-17(23-19(22)14(13)9-21)12-3-4-18(27-2)16(20)7-12/h3-4,7-8,10,26H,5-6H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile?
2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 367.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluoro-4-methoxyphenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).