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

C17H11ClN6O — CID 137431188

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1coc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C17H11ClN6O/c1-8-2-13(25-7-8)16-15(22-12(5-19)17(20)23-16)9-3-10-6-21-24-14(10)11(18)4-9/h2-4,6-7H,1H3,(H2,20,23)(H,21,24)
InChIKeyAWQKODKPQMTTCF-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.70
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile (PubChem CID 137431188) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile
PubChem CID137431188
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1coc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C17H11ClN6O/c1-8-2-13(25-7-8)16-15(22-12(5-19)17(20)23-16)9-3-10-6-21-24-14(10)11(18)4-9/h2-4,6-7H,1H3,(H2,20,23)(H,21,24)
InChIKeyAWQKODKPQMTTCF-UHFFFAOYSA-N
XLogP3.70
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.70
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-(4-methylfuran-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile (CID 137431188) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile is Cc1coc(-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-(4-methylfuran-2-yl)pyrazine-2-carbonitrile?
The InChIKey is AWQKODKPQMTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c1-8-2-13(25-7-8)16-15(22-12(5-19)17(20)23-16)9-3-10-6-21-24-14(10)11(18)4-9/h2-4,6-7H,1H3,(H2,20,23)(H,21,24).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile has a molecular weight of 350.77 g/mol, XLogP of 3.70, 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-(4-methylfuran-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).