2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C26H9FN8O3 — CID 68897238

IUPAC2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O.N#Cc1nc2c(nc1C(N)=O)-c1ccccc1C2=O
InChIInChI=1S/C13H3FN4O.C13H6N4O2/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12;14-5-8-10(13(15)19)17-9-6-3-1-2-4-7(6)12(18)11(9)16-8/h1-3H;1-4H,(H2,15,19)
InChIKeyQHFBMAMFDOPFGP-UHFFFAOYSA-N
MW500.41 g/mol
LogP2.23
Rot. Bonds1

About 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 68897238) has the molecular formula C26H9FN8O3 and a molecular weight of 500.41 g/mol. Its IUPAC name is 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID68897238
Molecular FormulaC26H9FN8O3
Molecular Weight500.41 g/mol
Exact Mass500.08
IUPAC Name2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O.N#Cc1nc2c(nc1C(N)=O)-c1ccccc1C2=O
InChIInChI=1S/C13H3FN4O.C13H6N4O2/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12;14-5-8-10(13(15)19)17-9-6-3-1-2-4-7(6)12(18)11(9)16-8/h1-3H;1-4H,(H2,15,19)
InChIKeyQHFBMAMFDOPFGP-UHFFFAOYSA-N
XLogP2.23
TPSA200.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 138454764
CID 138454764
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CID 155530662
CID 292929
CID 292929
CID 15940221
CID 15940221
CID 57831010
CID 57831010
CID 155549898
CID 155549898
CID 1085049
CID 1085049
CID 58012974
CID 58012974
CID 58013046
CID 58013046
CID 102408889
CID 102408889
CID 57831017
CID 57831017

Frequently Asked Questions

What is the IUPAC name of 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 68897238) is 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O.N#Cc1nc2c(nc1C(N)=O)-c1ccccc1C2=O.
What is the InChIKey of 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is QHFBMAMFDOPFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3FN4O.C13H6N4O2/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12;14-5-8-10(13(15)19)17-9-6-3-1-2-4-7(6)12(18)11(9)16-8/h1-3H;1-4H,(H2,15,19).
What are the key properties of 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 500.41 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-9-oxoindeno[1,2-b]pyrazine-3-carboxamide;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 68897238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).