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

C15H8ClN7O — CID 137430278

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccno2)nc1N
InChIInChI=1S/C15H8ClN7O/c16-9-4-7(3-8-6-19-23-12(8)9)13-14(11-1-2-20-24-11)22-15(18)10(5-17)21-13/h1-4,6H,(H2,18,22)(H,19,23)
InChIKeyAHHNGWFJEMTXIH-UHFFFAOYSA-N
MW337.73 g/mol
LogP2.78
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile (PubChem CID 137430278) has the molecular formula C15H8ClN7O and a molecular weight of 337.73 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile
PubChem CID137430278
Molecular FormulaC15H8ClN7O
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccno2)nc1N
InChIInChI=1S/C15H8ClN7O/c16-9-4-7(3-8-6-19-23-12(8)9)13-14(11-1-2-20-24-11)22-15(18)10(5-17)21-13/h1-4,6H,(H2,18,22)(H,19,23)
InChIKeyAHHNGWFJEMTXIH-UHFFFAOYSA-N
XLogP2.78
TPSA130.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137430883
3-amino-5-(2-chloro-4-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137431793
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
CID 137431777
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
CID 137431183
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile
CID 137431806
3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137431293
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
CID 137430974
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
CID 137431036
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
CID 137431740
oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
CID 137431911
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 137430297

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile (CID 137430278) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccno2)nc1N.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile?
The InChIKey is AHHNGWFJEMTXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN7O/c16-9-4-7(3-8-6-19-23-12(8)9)13-14(11-1-2-20-24-11)22-15(18)10(5-17)21-13/h1-4,6H,(H2,18,22)(H,19,23).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 337.73 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).