5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one

C14H12N4O2 — CID 112527078

IUPAC5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one
SMILESCc1c(N)c2ccccc2n1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H12N4O2/c1-8-13(15)9-4-2-3-5-11(9)18(8)14(20)10-6-17-12(19)7-16-10/h2-7H,15H2,1H3,(H,17,19)
InChIKeyOOJQGZRWGXFSCF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.30
Rot. Bonds1

About 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one

5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 112527078) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one
PubChem CID112527078
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one
SMILESCc1c(N)c2ccccc2n1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H12N4O2/c1-8-13(15)9-4-2-3-5-11(9)18(8)14(20)10-6-17-12(19)7-16-10/h2-7H,15H2,1H3,(H,17,19)
InChIKeyOOJQGZRWGXFSCF-UHFFFAOYSA-N
XLogP1.30
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-2-methylindol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112527118
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527152
5-(2-methylpropanoyl)-1H-pyrazin-2-one
CID 118220483
5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
CID 86285870
1-carbazol-9-ylethanone;ethane
CID 142183368
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
ethyl 3-(9-methylpyrido[3,4-b]indol-3-yl)-3-oxopropanoate
CID 90148338
ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate;hydrobromide
CID 46907522
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one (CID 112527078) is 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one is Cc1c(N)c2ccccc2n1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is OOJQGZRWGXFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-13(15)9-4-2-3-5-11(9)18(8)14(20)10-6-17-12(19)7-16-10/h2-7H,15H2,1H3,(H,17,19).
What are the key properties of 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one?
5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 268.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylindole-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 112527078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).