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

C18H13ClN6O — CID 137431185

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1coc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1C
InChIInChI=1S/C18H13ClN6O/c1-8-7-26-17(9(8)2)16-15(23-13(5-20)18(21)24-16)10-3-11-6-22-25-14(11)12(19)4-10/h3-4,6-7H,1-2H3,(H2,21,24)(H,22,25)
InChIKeyXPBXNGIVEGDWSF-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.00
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile (PubChem CID 137431185) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile
PubChem CID137431185
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1coc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1C
InChIInChI=1S/C18H13ClN6O/c1-8-7-26-17(9(8)2)16-15(23-13(5-20)18(21)24-16)10-3-11-6-22-25-14(11)12(19)4-10/h3-4,6-7H,1-2H3,(H2,21,24)(H,22,25)
InChIKeyXPBXNGIVEGDWSF-UHFFFAOYSA-N
XLogP4.00
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.00
H-Bond Donors ≤ 52
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-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile (CID 137431185) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile is Cc1coc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1C.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile?
The InChIKey is XPBXNGIVEGDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c1-8-7-26-17(9(8)2)16-15(23-13(5-20)18(21)24-16)10-3-11-6-22-25-14(11)12(19)4-10/h3-4,6-7H,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile has a molecular weight of 364.80 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 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-(3,4-dimethylfuran-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).