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

C19H13ClN6O — CID 137430742

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile
SMILESCOc1cccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C19H13ClN6O/c1-27-13-4-2-3-10(6-13)17-18(24-15(8-21)19(22)25-17)11-5-12-9-23-26-16(12)14(20)7-11/h2-7,9H,1H3,(H2,22,25)(H,23,26)
InChIKeySHPQSPXAPMHWMG-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.80
Rot. Bonds3

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile (PubChem CID 137430742) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile
PubChem CID137430742
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile
SMILESCOc1cccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C19H13ClN6O/c1-27-13-4-2-3-10(6-13)17-18(24-15(8-21)19(22)25-17)11-5-12-9-23-26-16(12)14(20)7-11/h2-7,9H,1H3,(H2,22,25)(H,23,26)
InChIKeySHPQSPXAPMHWMG-UHFFFAOYSA-N
XLogP3.80
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.80
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-methoxyphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile (CID 137430742) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile is COc1cccc(-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-(3-methoxyphenyl)pyrazine-2-carbonitrile?
The InChIKey is SHPQSPXAPMHWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c1-27-13-4-2-3-10(6-13)17-18(24-15(8-21)19(22)25-17)11-5-12-9-23-26-16(12)14(20)7-11/h2-7,9H,1H3,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methoxyphenyl)pyrazine-2-carbonitrile has a molecular weight of 376.81 g/mol, XLogP of 3.80, 3 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-methoxyphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).