tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C64H80N18O4 — CID 158356517

IUPACtert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1ncc(C)n2nc(/C=C/c3ccc4c(n3)N(C(=O)OC(C)(C)C)C(C)CC4)nc12.Cc1ncc(C)n2nc(CCc3ccc4c(n3)N(C(=O)OC(C)(C)C)C(C)CC4)nc12.Cc1ncc(C)n2nc(CCc3ccc4c(n3)NC(C)CC4)nc12
InChIInChI=1S/C23H30N6O2.C23H28N6O2.C18H22N6/c2*1-14-7-8-17-9-10-18(25-21(17)28(14)22(30)31-23(4,5)6)11-12-19-26-20-16(3)24-13-15(2)29(20)27-19;1-11-4-5-14-6-7-15(21-17(14)20-11)8-9-16-22-18-13(3)19-10-12(2)24(18)23-16/h9-10,13-14H,7-8,11-12H2,1-6H3;9-14H,7-8H2,1-6H3;6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)/b;12-11+;
InChIKeyGSYDUSGURKVZGU-ITTKMUPFSA-N
MW1165.47 g/mol
LogP11.05
Rot. Bonds8

About tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 158356517) has the molecular formula C64H80N18O4 and a molecular weight of 1165.47 g/mol. Its IUPAC name is tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Nametert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID158356517
Molecular FormulaC64H80N18O4
Molecular Weight1165.47 g/mol
Exact Mass1164.66
IUPAC Nametert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1ncc(C)n2nc(/C=C/c3ccc4c(n3)N(C(=O)OC(C)(C)C)C(C)CC4)nc12.Cc1ncc(C)n2nc(CCc3ccc4c(n3)N(C(=O)OC(C)(C)C)C(C)CC4)nc12.Cc1ncc(C)n2nc(CCc3ccc4c(n3)NC(C)CC4)nc12
InChIInChI=1S/C23H30N6O2.C23H28N6O2.C18H22N6/c2*1-14-7-8-17-9-10-18(25-21(17)28(14)22(30)31-23(4,5)6)11-12-19-26-20-16(3)24-13-15(2)29(20)27-19;1-11-4-5-14-6-7-15(21-17(14)20-11)8-9-16-22-18-13(3)19-10-12(2)24(18)23-16/h9-10,13-14H,7-8,11-12H2,1-6H3;9-14H,7-8H2,1-6H3;6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)/b;12-11+;
InChIKeyGSYDUSGURKVZGU-ITTKMUPFSA-N
XLogP11.05
TPSA239.02 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.47
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 158356517) is tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1ncc(C)n2nc(/C=C/c3ccc4c(n3)N(C(=O)OC(C)(C)C)C(C)CC4)nc12.Cc1ncc(C)n2nc(CCc3ccc4c(n3)N(C(=O)OC(C)(C)C)C(C)CC4)nc12.Cc1ncc(C)n2nc(CCc3ccc4c(n3)NC(C)CC4)nc12.
What is the InChIKey of tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is GSYDUSGURKVZGU-ITTKMUPFSA-N. The full InChI is InChI=1S/C23H30N6O2.C23H28N6O2.C18H22N6/c2*1-14-7-8-17-9-10-18(25-21(17)28(14)22(30)31-23(4,5)6)11-12-19-26-20-16(3)24-13-15(2)29(20)27-19;1-11-4-5-14-6-7-15(21-17(14)20-11)8-9-16-22-18-13(3)19-10-12(2)24(18)23-16/h9-10,13-14H,7-8,11-12H2,1-6H3;9-14H,7-8H2,1-6H3;6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)/b;12-11+;.
What are the key properties of tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1165.47 g/mol, XLogP of 11.05, 8 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 158356517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).