T0156

HCID 5368

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Basic information

Standard SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1
InChIKey: JEMJAABFSYOLAP-UHFFFAOYSA-N
Molecular formula: C31H29N5O7
Average molar mass: 583.6 g/mol
Monoisotopic mass: 583.20669828

Overview

2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester is a naphthyridine derivative.

Names & identifiers

Preferred name: T0156
IUPAC: methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate

Names & synonyms

t-0156T0156methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylateDTXSID401045746Methyl 2-((2-methylpyridin-4-yl)methyl)-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylateRefChem:187070DTXCID501527674324572-92-11,2-Dihydro-2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester hydrochloridemethyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylateCHEMBL540294NCGC00016057-01

Show more names

Tocris-1676T-0156 free baseLopac-T-8067Lopac0_001212SCHEMBL687326GTPL5275orb1945046CHEMBL1190161

Database identifiers

PubChem CID: 5368
DTXSID: DTXSID401045746
ChEMBL: CHEMBL1190161、CHEMBL540294
ChEBI: CHEBI:93111
Nikkaji: J2.022.124K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 135 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 11
Heavy atoms: 43
Formal charge: 0
Complexity: 978

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Compound notes

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