2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C27H11ClN8O3 — CID 159809540

IUPAC2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccccc1C2=O.N#Cc1nc2c(nc1CC(N)=O)-c1cc(Cl)ccc1C2=O
InChIInChI=1S/C14H7ClN4O2.C13H4N4O/c15-6-1-2-7-8(3-6)12-13(14(7)21)19-10(5-16)9(18-12)4-11(17)20;14-5-9-10(6-15)17-12-11(16-9)7-3-1-2-4-8(7)13(12)18/h1-3H,4H2,(H2,17,20);1-4H
InChIKeyNKVPOFZJWBMBJE-UHFFFAOYSA-N
MW530.89 g/mol
LogP2.67
Rot. Bonds2

About 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 159809540) has the molecular formula C27H11ClN8O3 and a molecular weight of 530.89 g/mol. Its IUPAC name is 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID159809540
Molecular FormulaC27H11ClN8O3
Molecular Weight530.89 g/mol
Exact Mass530.06
IUPAC Name2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccccc1C2=O.N#Cc1nc2c(nc1CC(N)=O)-c1cc(Cl)ccc1C2=O
InChIInChI=1S/C14H7ClN4O2.C13H4N4O/c15-6-1-2-7-8(3-6)12-13(14(7)21)19-10(5-16)9(18-12)4-11(17)20;14-5-9-10(6-15)17-12-11(16-9)7-3-1-2-4-8(7)13(12)18/h1-3H,4H2,(H2,17,20);1-4H
InChIKeyNKVPOFZJWBMBJE-UHFFFAOYSA-N
XLogP2.67
TPSA200.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 159809540) is 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccccc1C2=O.N#Cc1nc2c(nc1CC(N)=O)-c1cc(Cl)ccc1C2=O.
What is the InChIKey of 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is NKVPOFZJWBMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O2.C13H4N4O/c15-6-1-2-7-8(3-6)12-13(14(7)21)19-10(5-16)9(18-12)4-11(17)20;14-5-9-10(6-15)17-12-11(16-9)7-3-1-2-4-8(7)13(12)18/h1-3H,4H2,(H2,17,20);1-4H.
What are the key properties of 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 530.89 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide;9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 159809540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).