2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone

C27H30N8O2 — CID 118396330

IUPAC2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone
SMILESCOc1cncc(N2CCc3cccc(N4CCN(C(=O)Cn5cnc6cccnc65)C(C)C4)c3C2)n1
InChIInChI=1S/C27H30N8O2/c1-19-15-32(11-12-35(19)26(36)17-34-18-30-22-6-4-9-29-27(22)34)23-7-3-5-20-8-10-33(16-21(20)23)24-13-28-14-25(31-24)37-2/h3-7,9,13-14,18-19H,8,10-12,15-17H2,1-2H3
InChIKeyIPZRGISQQJCEQD-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.53
Rot. Bonds5

About 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone

2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 118396330) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone
PubChem CID118396330
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone
SMILESCOc1cncc(N2CCc3cccc(N4CCN(C(=O)Cn5cnc6cccnc65)C(C)C4)c3C2)n1
InChIInChI=1S/C27H30N8O2/c1-19-15-32(11-12-35(19)26(36)17-34-18-30-22-6-4-9-29-27(22)34)23-7-3-5-20-8-10-33(16-21(20)23)24-13-28-14-25(31-24)37-2/h3-7,9,13-14,18-19H,8,10-12,15-17H2,1-2H3
InChIKeyIPZRGISQQJCEQD-UHFFFAOYSA-N
XLogP2.53
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-4-[2-(2-methoxypyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone
CID 118396355
1-[(2R)-4-[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 118396298
1-[4-[2-(2-ethoxypyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 129021509
2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[2-(5-methylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396317
1-[(2R)-4-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 118396133
1-[8-[4-(2-imidazo[4,5-b]pyridin-3-ylacetyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-morpholin-4-ylethanone
CID 118396097
1-[4-[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 129021565
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(2-propylpyrimidin-5-yl)-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396307
1-[4-[4-fluoro-2-(2-methylsulfinylpyrimidin-5-yl)phenyl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 91611755
1-[4-[4-(4-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 78147452
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-2-[2-(5-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396039
1-[4-[2-(2-methoxypyrimidin-5-yl)-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 118396244

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone (CID 118396330) is 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone is COc1cncc(N2CCc3cccc(N4CCN(C(=O)Cn5cnc6cccnc65)C(C)C4)c3C2)n1.
What is the InChIKey of 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is IPZRGISQQJCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-19-15-32(11-12-35(19)26(36)17-34-18-30-22-6-4-9-29-27(22)34)23-7-3-5-20-8-10-33(16-21(20)23)24-13-28-14-25(31-24)37-2/h3-7,9,13-14,18-19H,8,10-12,15-17H2,1-2H3.
What are the key properties of 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone?
2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 498.59 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-b]pyridin-3-yl-1-[4-[2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 118396330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).