5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile

C14H8N4O — CID 146879070

IUPAC5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C14H8N4O/c15-5-9-6-17-13(8-16-9)14(19)11-7-18-12-4-2-1-3-10(11)12/h1-4,6-8,18H
InChIKeySRLNTXUFPJIQCT-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.06
Rot. Bonds2

About 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile

5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile (PubChem CID 146879070) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
PubChem CID146879070
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C14H8N4O/c15-5-9-6-17-13(8-16-9)14(19)11-7-18-12-4-2-1-3-10(11)12/h1-4,6-8,18H
InChIKeySRLNTXUFPJIQCT-UHFFFAOYSA-N
XLogP2.06
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea
CID 121264494
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
CID 139561362
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile (CID 146879070) is 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile is N#Cc1cnc(C(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile?
The InChIKey is SRLNTXUFPJIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-5-9-6-17-13(8-16-9)14(19)11-7-18-12-4-2-1-3-10(11)12/h1-4,6-8,18H.
What are the key properties of 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile?
5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 146879070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).