3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile

C18H13ClN8 — CID 137431806

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile
SMILESCc1cc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c(C)nn1
InChIInChI=1S/C18H13ClN8/c1-8-3-12(9(2)26-25-8)17-16(23-14(6-20)18(21)24-17)10-4-11-7-22-27-15(11)13(19)5-10/h3-5,7H,1-2H3,(H2,21,24)(H,22,27)
InChIKeyUPMHFXXAQOFZIV-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.20
Rot. Bonds2

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile (PubChem CID 137431806) has the molecular formula C18H13ClN8 and a molecular weight of 376.81 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile
PubChem CID137431806
Molecular FormulaC18H13ClN8
Molecular Weight376.81 g/mol
Exact Mass376.10
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile
SMILESCc1cc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c(C)nn1
InChIInChI=1S/C18H13ClN8/c1-8-3-12(9(2)26-25-8)17-16(23-14(6-20)18(21)24-17)10-4-11-7-22-27-15(11)13(19)5-10/h3-5,7H,1-2H3,(H2,21,24)(H,22,27)
InChIKeyUPMHFXXAQOFZIV-UHFFFAOYSA-N
XLogP3.20
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
CID 137431183
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-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137430883
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile
CID 137430278
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
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
CID 137431740
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154604800
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040
7-chloro-5-(2-methylphenyl)-1H-indazole
CID 171662369
7-chloro-1H-indazole-5-carbonitrile
CID 66920531

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile (CID 137431806) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile is Cc1cc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c(C)nn1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile?
The InChIKey is UPMHFXXAQOFZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN8/c1-8-3-12(9(2)26-25-8)17-16(23-14(6-20)18(21)24-17)10-4-11-7-22-27-15(11)13(19)5-10/h3-5,7H,1-2H3,(H2,21,24)(H,22,27).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile has a molecular weight of 376.81 g/mol, XLogP of 3.20, 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-(3,6-dimethylpyridazin-4-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).