1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline

C27H24N4O2 — CID 50902804

IUPAC1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncc(-n4ccc5ccccc54)c3)nc(C)n1CC2
InChIInChI=1S/C27H24N4O2/c1-17-29-26(27-22-14-25(33-3)24(32-2)13-19(22)9-10-30(17)27)20-12-21(16-28-15-20)31-11-8-18-6-4-5-7-23(18)31/h4-8,11-16H,9-10H2,1-3H3
InChIKeyUIPMLUMXEACAEX-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.44
Rot. Bonds4

About 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline

1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902804) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902804
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncc(-n4ccc5ccccc54)c3)nc(C)n1CC2
InChIInChI=1S/C27H24N4O2/c1-17-29-26(27-22-14-25(33-3)24(32-2)13-19(22)9-10-30(17)27)20-12-21(16-28-15-20)31-11-8-18-6-4-5-7-23(18)31/h4-8,11-16H,9-10H2,1-3H3
InChIKeyUIPMLUMXEACAEX-UHFFFAOYSA-N
XLogP5.44
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902804) is 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cncc(-n4ccc5ccccc54)c3)nc(C)n1CC2.
What is the InChIKey of 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is UIPMLUMXEACAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-17-29-26(27-22-14-25(33-3)24(32-2)13-19(22)9-10-30(17)27)20-12-21(16-28-15-20)31-11-8-18-6-4-5-7-23(18)31/h4-8,11-16H,9-10H2,1-3H3.
What are the key properties of 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 436.52 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).