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

C16H11ClN8 — CID 137431183

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
SMILESCc1[nH]ncc1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H11ClN8/c1-7-10(6-21-24-7)15-14(22-12(4-18)16(19)23-15)8-2-9-5-20-25-13(9)11(17)3-8/h2-3,5-6H,1H3,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyVKHANGKJTPLZPW-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.83
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile (PubChem CID 137431183) has the molecular formula C16H11ClN8 and a molecular weight of 350.77 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
PubChem CID137431183
Molecular FormulaC16H11ClN8
Molecular Weight350.77 g/mol
Exact Mass350.08
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
SMILESCc1[nH]ncc1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H11ClN8/c1-7-10(6-21-24-7)15-14(22-12(4-18)16(19)23-15)8-2-9-5-20-25-13(9)11(17)3-8/h2-3,5-6H,1H3,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyVKHANGKJTPLZPW-UHFFFAOYSA-N
XLogP2.83
TPSA132.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile (CID 137431183) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile is Cc1[nH]ncc1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile?
The InChIKey is VKHANGKJTPLZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN8/c1-7-10(6-21-24-7)15-14(22-12(4-18)16(19)23-15)8-2-9-5-20-25-13(9)11(17)3-8/h2-3,5-6H,1H3,(H2,19,23)(H,20,25)(H,21,24).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile has a molecular weight of 350.77 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).