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

C27H11ClN8O3 — CID 159982210

IUPAC6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
SMILESN#Cc1nc2c(nc1C#N)-c1cc(Cl)ccc1C2=O.N#Cc1nc2c(nc1CC(N)=O)-c1ccccc1C2=O
InChIInChI=1S/C14H8N4O2.C13H3ClN4O/c15-6-10-9(5-11(16)19)17-12-7-3-1-2-4-8(7)14(20)13(12)18-10;14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-4H,5H2,(H2,16,19);1-3H
InChIKeyOFXJXIRBMVTQAO-UHFFFAOYSA-N
MW530.89 g/mol
LogP2.67
Rot. Bonds2

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

6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide (PubChem CID 159982210) has the molecular formula C27H11ClN8O3 and a molecular weight of 530.89 g/mol. Its IUPAC name is 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide.

Molecular Properties

Compound Name6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
PubChem CID159982210
Molecular FormulaC27H11ClN8O3
Molecular Weight530.89 g/mol
Exact Mass530.06
IUPAC Name6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
SMILESN#Cc1nc2c(nc1C#N)-c1cc(Cl)ccc1C2=O.N#Cc1nc2c(nc1CC(N)=O)-c1ccccc1C2=O
InChIInChI=1S/C14H8N4O2.C13H3ClN4O/c15-6-10-9(5-11(16)19)17-12-7-3-1-2-4-8(7)14(20)13(12)18-10;14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-4H,5H2,(H2,16,19);1-3H
InChIKeyOFXJXIRBMVTQAO-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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Related Compounds

CID 16065773
CID 16065773
CID 16065919
CID 16065919
CID 101561748
CID 101561748
CID 57831026
CID 57831026
CID 57831037
CID 57831037
CID 68897238
CID 68897238
CID 69109670
CID 69109670
CID 69110059
CID 69110059
CID 69110144
CID 69110144
CID 87662703
CID 87662703
CID 87697602
CID 87697602
CID 87697603
CID 87697603

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide?
The IUPAC name of 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide (CID 159982210) is 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide.
What is the SMILES notation for 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide?
The canonical SMILES for 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide is N#Cc1nc2c(nc1C#N)-c1cc(Cl)ccc1C2=O.N#Cc1nc2c(nc1CC(N)=O)-c1ccccc1C2=O.
What is the InChIKey of 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide?
The InChIKey is OFXJXIRBMVTQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2.C13H3ClN4O/c15-6-10-9(5-11(16)19)17-12-7-3-1-2-4-8(7)14(20)13(12)18-10;14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-4H,5H2,(H2,16,19);1-3H.
What are the key properties of 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide?
6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide 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 6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide is sourced from PubChem (CID 159982210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).