6-(7-Chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-oxo-5H-pyrrole(3,4-b)pyrazin-5-yl dimethylcarbamate

HCID 22754757

Notes Reactions

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Basic information

CAS: 61500-71-8
Standard SMILES: CN(C)C(=O)OC1c2nccnc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIKey: VSFTZLPLDDRCTL-UHFFFAOYSA-N
Molecular formula: C17H13ClN6O3
Average molar mass: 384.8 g/mol
Monoisotopic mass: 384.07376596

Names & identifiers

Preferred name: 6-(7-Chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-oxo-5H-pyrrole(3,4-b)pyrazin-5-yl dimethylcarbamate
IUPAC: [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N,N-dimethylcarbamate

Names & synonyms

EINECS 262-824-961500-71-86-(7-Chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-oxo-5H-pyrrole(3,4-b)pyrazin-5-yl dimethylcarbamateSCHEMBL11605943DTXSID2011069126-(7-chloro-1,8-naphthyridin-2-yl)-5-dimethylaminocarbonyloxy-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazineCarbamic acid, dimethyl-, 6-(7-chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester

Database identifiers

CAS: 61500-71-8
PubChem CID: 22754757
DTXSID: DTXSID201106912
EC Number: 262-824-9
Nikkaji: J279.651A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 101 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 593

Related reactions

2 records

New reaction record

HRID 66339As productuspto-grants-1978_12

HRID 2083740As productuspto-grants-1978_04

Compound notes

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