3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile

C19H12ClFN6 — CID 137431795

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile
SMILESCc1cc(F)cc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C19H12ClFN6/c1-9-2-10(5-13(21)3-9)18-17(25-15(7-22)19(23)26-18)11-4-12-8-24-27-16(12)14(20)6-11/h2-6,8H,1H3,(H2,23,26)(H,24,27)
InChIKeyFYWSCNLDFXVFRX-UHFFFAOYSA-N
MW378.80 g/mol
LogP4.24
Rot. Bonds2

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile (PubChem CID 137431795) has the molecular formula C19H12ClFN6 and a molecular weight of 378.80 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile
PubChem CID137431795
Molecular FormulaC19H12ClFN6
Molecular Weight378.80 g/mol
Exact Mass378.08
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile
SMILESCc1cc(F)cc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C19H12ClFN6/c1-9-2-10(5-13(21)3-9)18-17(25-15(7-22)19(23)26-18)11-4-12-8-24-27-16(12)14(20)6-11/h2-6,8H,1H3,(H2,23,26)(H,24,27)
InChIKeyFYWSCNLDFXVFRX-UHFFFAOYSA-N
XLogP4.24
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.80
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile (CID 137431795) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile is Cc1cc(F)cc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile?
The InChIKey is FYWSCNLDFXVFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN6/c1-9-2-10(5-13(21)3-9)18-17(25-15(7-22)19(23)26-18)11-4-12-8-24-27-16(12)14(20)6-11/h2-6,8H,1H3,(H2,23,26)(H,24,27).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile has a molecular weight of 378.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluoro-5-methylphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).