6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

C43H41N7O4 — CID 123951650

IUPAC6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncn3Cc3ccc(C4Cn5c(C)nc(-c6cccnc6)c5-c5cc(OC)c(OC)cc54)cc3)nc(C)n1CC2
InChIInChI=1S/C43H41N7O4/c1-25-47-41(42-31-17-37(52-4)36(51-3)16-29(31)13-15-49(25)42)35-21-45-24-48(35)22-27-9-11-28(12-10-27)34-23-50-26(2)46-40(30-8-7-14-44-20-30)43(50)33-19-39(54-6)38(53-5)18-32(33)34/h7-12,14,16-21,24,34H,13,15,22-23H2,1-6H3
InChIKeyYWFGZXOJBJAASU-UHFFFAOYSA-N
MW719.85 g/mol
LogP7.74
Rot. Bonds9

About 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 123951650) has the molecular formula C43H41N7O4 and a molecular weight of 719.85 g/mol. Its IUPAC name is 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID123951650
Molecular FormulaC43H41N7O4
Molecular Weight719.85 g/mol
Exact Mass719.32
IUPAC Name6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncn3Cc3ccc(C4Cn5c(C)nc(-c6cccnc6)c5-c5cc(OC)c(OC)cc54)cc3)nc(C)n1CC2
InChIInChI=1S/C43H41N7O4/c1-25-47-41(42-31-17-37(52-4)36(51-3)16-29(31)13-15-49(25)42)35-21-45-24-48(35)22-27-9-11-28(12-10-27)34-23-50-26(2)46-40(30-8-7-14-44-20-30)43(50)33-19-39(54-6)38(53-5)18-32(33)34/h7-12,14,16-21,24,34H,13,15,22-23H2,1-6H3
InChIKeyYWFGZXOJBJAASU-UHFFFAOYSA-N
XLogP7.74
TPSA103.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline with MolForge

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Related Compounds

7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
N-benzyl-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 171129
6-(3,4-Dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine
CID 11337983
4-[3-[[(6S,10bR)-6-imidazo[1,2-a]pyridin-3-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]propyl]morpholine
CID 44441089
8,9-Dimethoxy-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902030
8,9-Dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902031
8,9-Dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902034
8,9-Dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902291
1-(5-Indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902804
6-(3,4-Dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pteridin-2-amine
CID 50942313
4-(4-Benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 53319141

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 123951650) is 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cncn3Cc3ccc(C4Cn5c(C)nc(-c6cccnc6)c5-c5cc(OC)c(OC)cc54)cc3)nc(C)n1CC2.
What is the InChIKey of 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is YWFGZXOJBJAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N7O4/c1-25-47-41(42-31-17-37(52-4)36(51-3)16-29(31)13-15-49(25)42)35-21-45-24-48(35)22-27-9-11-28(12-10-27)34-23-50-26(2)46-40(30-8-7-14-44-20-30)43(50)33-19-39(54-6)38(53-5)18-32(33)34/h7-12,14,16-21,24,34H,13,15,22-23H2,1-6H3.
What are the key properties of 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 719.85 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)imidazol-1-yl]methyl]phenyl]-8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 123951650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).