2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine

C41H41N13 — CID 123772340

IUPAC2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
SMILESCc1ncc(C)n2nc(CCc3nc4c5c(ccn4c3C)C(c3nc(C)c4nc(CCc6nc7c8cccnc8ccn7c6C)nn4c3C)CCC5)nc12
InChIInChI=1S/C41H41N13/c1-22-21-43-23(2)38-47-35(49-53(22)38)14-12-32-25(4)51-19-16-28-29(9-7-10-30(28)40(51)45-32)37-27(6)54-39(24(3)44-37)48-36(50-54)15-13-33-26(5)52-20-17-34-31(41(52)46-33)11-8-18-42-34/h8,11,16-21,29H,7,9-10,12-15H2,1-6H3
InChIKeyMHPUKXFEYPTKJX-UHFFFAOYSA-N
MW715.87 g/mol
LogP6.29
Rot. Bonds7

About 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine

2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine (PubChem CID 123772340) has the molecular formula C41H41N13 and a molecular weight of 715.87 g/mol. Its IUPAC name is 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
PubChem CID123772340
Molecular FormulaC41H41N13
Molecular Weight715.87 g/mol
Exact Mass715.36
IUPAC Name2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
SMILESCc1ncc(C)n2nc(CCc3nc4c5c(ccn4c3C)C(c3nc(C)c4nc(CCc6nc7c8cccnc8ccn7c6C)nn4c3C)CCC5)nc12
InChIInChI=1S/C41H41N13/c1-22-21-43-23(2)38-47-35(49-53(22)38)14-12-32-25(4)51-19-16-28-29(9-7-10-30(28)40(51)45-32)37-27(6)54-39(24(3)44-37)48-36(50-54)15-13-33-26(5)52-20-17-34-31(41(52)46-33)11-8-18-42-34/h8,11,16-21,29H,7,9-10,12-15H2,1-6H3
InChIKeyMHPUKXFEYPTKJX-UHFFFAOYSA-N
XLogP6.29
TPSA133.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500715.87
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine with MolForge

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Related Compounds

6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666369
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137645348
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137632523
3-(1-Methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137636605
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137652089
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137661996
2-(1H-imidazol-1-yl)-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidine
CID 11671553

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine (CID 123772340) is 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine is Cc1ncc(C)n2nc(CCc3nc4c5c(ccn4c3C)C(c3nc(C)c4nc(CCc6nc7c8cccnc8ccn7c6C)nn4c3C)CCC5)nc12.
What is the InChIKey of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
The InChIKey is MHPUKXFEYPTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N13/c1-22-21-43-23(2)38-47-35(49-53(22)38)14-12-32-25(4)51-19-16-28-29(9-7-10-30(28)40(51)45-32)37-27(6)54-39(24(3)44-37)48-36(50-54)15-13-33-26(5)52-20-17-34-31(41(52)46-33)11-8-18-42-34/h8,11,16-21,29H,7,9-10,12-15H2,1-6H3.
What are the key properties of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine has a molecular weight of 715.87 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 123772340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).