5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one

C36H33N3O2 — CID 150288849

IUPAC5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one
SMILESCCc1ccc2c(C3(c4cc5c6c(c4)CCCN6CCC5)OC(=O)c4ncccc43)c(-c3ccccc3)c(C)n2c1
InChIInChI=1S/C36H33N3O2/c1-3-24-15-16-30-32(31(23(2)39(30)22-24)25-10-5-4-6-11-25)36(29-14-7-17-37-33(29)35(40)41-36)28-20-26-12-8-18-38-19-9-13-27(21-28)34(26)38/h4-7,10-11,14-17,20-22H,3,8-9,12-13,18-19H2,1-2H3
InChIKeyGHDQTYKEBPQXSX-UHFFFAOYSA-N
MW539.68 g/mol
LogP7.03
Rot. Bonds4

About 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one

5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one (PubChem CID 150288849) has the molecular formula C36H33N3O2 and a molecular weight of 539.68 g/mol. Its IUPAC name is 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one
PubChem CID150288849
Molecular FormulaC36H33N3O2
Molecular Weight539.68 g/mol
Exact Mass539.26
IUPAC Name5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one
SMILESCCc1ccc2c(C3(c4cc5c6c(c4)CCCN6CCC5)OC(=O)c4ncccc43)c(-c3ccccc3)c(C)n2c1
InChIInChI=1S/C36H33N3O2/c1-3-24-15-16-30-32(31(23(2)39(30)22-24)25-10-5-4-6-11-25)36(29-14-7-17-37-33(29)35(40)41-36)28-20-26-12-8-18-38-19-9-13-27(21-28)34(26)38/h4-7,10-11,14-17,20-22H,3,8-9,12-13,18-19H2,1-2H3
InChIKeyGHDQTYKEBPQXSX-UHFFFAOYSA-N
XLogP7.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one with MolForge

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Launch Full Analysis

Related Compounds

Pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate
CID 73357166
Ethyl 9-[5-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539200
Ethyl 9-[6-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539242
Ethyl 1-(((3-(ethoxycarbonyl)-2-phenyl-1-indolizinyl)(phenyl)methoxy)(phenyl)methyl)-2-phenyl-3-indolizinecarboxylate
CID 373623
Furo[3,4-b]pyridin-5(7H)-one, 7,7-bis(1-ethyl-2-methyl-1H-indol-3-yl)-
CID 3084918
Furo[3,4-b]pyridin-7(5H)-one, 5,5-bis(1-ethyl-2-methyl-1H-indol-3-yl)-
CID 3084932
Ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
CID 166175724
Ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
CID 166175725
Ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate
CID 167530892
6-(9-Butylpyrido[3,4-b]indole-3-carbonyl)oxyhexyl 9-butylpyrido[3,4-b]indole-3-carboxylate
CID 72187761
9-(9-Butylpyrido[3,4-b]indole-3-carbonyl)oxynonyl 9-butylpyrido[3,4-b]indole-3-carboxylate
CID 72187800
8-(9-Butylpyrido[3,4-b]indole-3-carbonyl)oxyoctyl 9-butylpyrido[3,4-b]indole-3-carboxylate
CID 72187801

Frequently Asked Questions

What is the IUPAC name of 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one?
The IUPAC name of 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one (CID 150288849) is 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one?
The canonical SMILES for 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one is CCc1ccc2c(C3(c4cc5c6c(c4)CCCN6CCC5)OC(=O)c4ncccc43)c(-c3ccccc3)c(C)n2c1.
What is the InChIKey of 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one?
The InChIKey is GHDQTYKEBPQXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O2/c1-3-24-15-16-30-32(31(23(2)39(30)22-24)25-10-5-4-6-11-25)36(29-14-7-17-37-33(29)35(40)41-36)28-20-26-12-8-18-38-19-9-13-27(21-28)34(26)38/h4-7,10-11,14-17,20-22H,3,8-9,12-13,18-19H2,1-2H3.
What are the key properties of 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one?
5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one has a molecular weight of 539.68 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-5-(6-ethyl-3-methyl-2-phenylindolizin-1-yl)furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 150288849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).