5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H19FN6O — CID 166147771

IUPAC5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1ccc(OC2CCCC2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F
InChIInChI=1S/C20H19FN6O/c1-12-6-7-16(28-14-4-2-3-5-14)19(20(12)21)15-8-17(27-26-15)25-18-11-23-13(9-22)10-24-18/h6-8,10-11,14H,2-5H2,1H3,(H2,24,25,26,27)
InChIKeyOVWSJWUHFNYCKI-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.25
Rot. Bonds5

About 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166147771) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID166147771
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1ccc(OC2CCCC2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F
InChIInChI=1S/C20H19FN6O/c1-12-6-7-16(28-14-4-2-3-5-14)19(20(12)21)15-8-17(27-26-15)25-18-11-23-13(9-22)10-24-18/h6-8,10-11,14H,2-5H2,1H3,(H2,24,25,26,27)
InChIKeyOVWSJWUHFNYCKI-UHFFFAOYSA-N
XLogP4.25
TPSA99.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166147771) is 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is Cc1ccc(OC2CCCC2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.
What is the InChIKey of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is OVWSJWUHFNYCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12-6-7-16(28-14-4-2-3-5-14)19(20(12)21)15-8-17(27-26-15)25-18-11-23-13(9-22)10-24-18/h6-8,10-11,14H,2-5H2,1H3,(H2,24,25,26,27).
What are the key properties of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 378.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166147771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).