5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]

C46H48N6O2 — CID 91387753

IUPAC5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]
SMILESc1cn2cc(-c3ccc4c(c3)CC3(CCN5CCC(c6cn7cc(-c8ccc9c(c8)CC8(CCN%10CCCCC%10C8)O9)ccc7n6)CC5C3)O4)ccc2n1
InChIInChI=1S/C46H48N6O2/c1-2-16-49-18-13-45(26-38(49)3-1)24-36-22-32(5-9-41(36)53-45)35-7-11-44-48-40(30-52(44)29-35)33-12-17-50-19-14-46(27-39(50)23-33)25-37-21-31(4-8-42(37)54-46)34-6-10-43-47-15-20-51(43)28-34/h4-11,15,20-22,28-30,33,38-39H,1-3,12-14,16-19,23-27H2
InChIKeyHHDBBXZBFWCHIQ-UHFFFAOYSA-N
MW716.93 g/mol
LogP8.35
Rot. Bonds3

About 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]

5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran] (PubChem CID 91387753) has the molecular formula C46H48N6O2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran].

Molecular Properties

Compound Name5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]
PubChem CID91387753
Molecular FormulaC46H48N6O2
Molecular Weight716.93 g/mol
Exact Mass716.38
IUPAC Name5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]
SMILESc1cn2cc(-c3ccc4c(c3)CC3(CCN5CCC(c6cn7cc(-c8ccc9c(c8)CC8(CCN%10CCCCC%10C8)O9)ccc7n6)CC5C3)O4)ccc2n1
InChIInChI=1S/C46H48N6O2/c1-2-16-49-18-13-45(26-38(49)3-1)24-36-22-32(5-9-41(36)53-45)35-7-11-44-48-40(30-52(44)29-35)33-12-17-50-19-14-46(27-39(50)23-33)25-37-21-31(4-8-42(37)54-46)34-6-10-43-47-15-20-51(43)28-34/h4-11,15,20-22,28-30,33,38-39H,1-3,12-14,16-19,23-27H2
InChIKeyHHDBBXZBFWCHIQ-UHFFFAOYSA-N
XLogP8.35
TPSA59.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]?
The IUPAC name of 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran] (CID 91387753) is 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran].
What is the SMILES notation for 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]?
The canonical SMILES for 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran] is c1cn2cc(-c3ccc4c(c3)CC3(CCN5CCC(c6cn7cc(-c8ccc9c(c8)CC8(CCN%10CCCCC%10C8)O9)ccc7n6)CC5C3)O4)ccc2n1.
What is the InChIKey of 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]?
The InChIKey is HHDBBXZBFWCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N6O2/c1-2-16-49-18-13-45(26-38(49)3-1)24-36-22-32(5-9-41(36)53-45)35-7-11-44-48-40(30-52(44)29-35)33-12-17-50-19-14-46(27-39(50)23-33)25-37-21-31(4-8-42(37)54-46)34-6-10-43-47-15-20-51(43)28-34/h4-11,15,20-22,28-30,33,38-39H,1-3,12-14,16-19,23-27H2.
What are the key properties of 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]?
5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran] has a molecular weight of 716.93 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-imidazo[1,2-a]pyridin-6-yl-2-(6-spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran]-5'-ylimidazo[1,2-a]pyridin-2-yl)spiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran] is sourced from PubChem (CID 91387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).