2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile

C20H12FN5O — CID 67360073

IUPAC2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile
SMILESCn1ncc(C#N)c1-c1c(C#N)c2c(F)cccc2n1-c1ccc(O)cc1
InChIInChI=1S/C20H12FN5O/c1-25-19(12(9-22)11-24-25)20-15(10-23)18-16(21)3-2-4-17(18)26(20)13-5-7-14(27)8-6-13/h2-8,11,27H,1H3
InChIKeyXJECJSWHTVAMME-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.62
Rot. Bonds2

About 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile

2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile (PubChem CID 67360073) has the molecular formula C20H12FN5O and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile
PubChem CID67360073
Molecular FormulaC20H12FN5O
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile
SMILESCn1ncc(C#N)c1-c1c(C#N)c2c(F)cccc2n1-c1ccc(O)cc1
InChIInChI=1S/C20H12FN5O/c1-25-19(12(9-22)11-24-25)20-15(10-23)18-16(21)3-2-4-17(18)26(20)13-5-7-14(27)8-6-13/h2-8,11,27H,1H3
InChIKeyXJECJSWHTVAMME-UHFFFAOYSA-N
XLogP3.62
TPSA90.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
The IUPAC name of 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile (CID 67360073) is 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile is Cn1ncc(C#N)c1-c1c(C#N)c2c(F)cccc2n1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
The InChIKey is XJECJSWHTVAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O/c1-25-19(12(9-22)11-24-25)20-15(10-23)18-16(21)3-2-4-17(18)26(20)13-5-7-14(27)8-6-13/h2-8,11,27H,1H3.
What are the key properties of 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile has a molecular weight of 357.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 67360073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).