7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

C96H113N19O2 — CID 157353812

IUPAC7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
SMILESC=C(O)CCCOC(Cn1c2c(c3cc(C)ccc31)C1CCCN1CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cnccn2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccc(C)nc2)CCN2CCCC12
InChIInChI=1S/C27H33N3O2.C24H29N3.C23H26N6.C22H25N7/c1-19-7-8-23-22(17-19)27-24-6-3-14-29(24)15-11-25(27)30(23)18-26(21-9-12-28-13-10-21)32-16-4-5-20(2)31;1-16-6-9-21-20(13-16)24-22-5-4-11-26(22)12-10-23(24)27(21)15-17(2)19-8-7-18(3)25-14-19;1-15-5-8-20-18(12-15)23-21-4-3-10-28(21)11-9-22(23)29(20)14-19(26-27-24)17-7-6-16(2)25-13-17;1-15-5-6-17-16(12-15)21-18-4-3-10-28(18)11-7-19(21)29(17)14-22(2,26-27-23)20-13-24-8-9-25-20/h7-10,12-13,17,24,26,31H,2-6,11,14-16,18H2,1H3;6-9,13-14,17,22H,4-5,10-12,15H2,1-3H3;5-8,12-13,19,21H,3-4,9-11,14H2,1-2H3;5-6,8-9,12-13,18H,3-4,7,10-11,14H2,1-2H3
InChIKeyBHVNCZMOLRTXNZ-UHFFFAOYSA-N
MW1565.09 g/mol
LogP20.85
Rot. Bonds19

About 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (PubChem CID 157353812) has the molecular formula C96H113N19O2 and a molecular weight of 1565.09 g/mol. Its IUPAC name is 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.

Molecular Properties

Compound Name7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
PubChem CID157353812
Molecular FormulaC96H113N19O2
Molecular Weight1565.09 g/mol
Exact Mass1563.93
IUPAC Name7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
SMILESC=C(O)CCCOC(Cn1c2c(c3cc(C)ccc31)C1CCCN1CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cnccn2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccc(C)nc2)CCN2CCCC12
InChIInChI=1S/C27H33N3O2.C24H29N3.C23H26N6.C22H25N7/c1-19-7-8-23-22(17-19)27-24-6-3-14-29(24)15-11-25(27)30(23)18-26(21-9-12-28-13-10-21)32-16-4-5-20(2)31;1-16-6-9-21-20(13-16)24-22-5-4-11-26(22)12-10-23(24)27(21)15-17(2)19-8-7-18(3)25-14-19;1-15-5-8-20-18(12-15)23-21-4-3-10-28(21)11-9-22(23)29(20)14-19(26-27-24)17-7-6-16(2)25-13-17;1-15-5-6-17-16(12-15)21-18-4-3-10-28(18)11-7-19(21)29(17)14-22(2,26-27-23)20-13-24-8-9-25-20/h7-10,12-13,17,24,26,31H,2-6,11,14-16,18H2,1H3;6-9,13-14,17,22H,4-5,10-12,15H2,1-3H3;5-8,12-13,19,21H,3-4,9-11,14H2,1-2H3;5-6,8-9,12-13,18H,3-4,7,10-11,14H2,1-2H3
InChIKeyBHVNCZMOLRTXNZ-UHFFFAOYSA-N
XLogP20.85
TPSA224.11 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.09
LogP ≤ 520.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The IUPAC name of 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (CID 157353812) is 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.
What is the SMILES notation for 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The canonical SMILES for 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is C=C(O)CCCOC(Cn1c2c(c3cc(C)ccc31)C1CCCN1CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cnccn2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccc(C)nc2)CCN2CCCC12.
What is the InChIKey of 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The InChIKey is BHVNCZMOLRTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2.C24H29N3.C23H26N6.C22H25N7/c1-19-7-8-23-22(17-19)27-24-6-3-14-29(24)15-11-25(27)30(23)18-26(21-9-12-28-13-10-21)32-16-4-5-20(2)31;1-16-6-9-21-20(13-16)24-22-5-4-11-26(22)12-10-23(24)27(21)15-17(2)19-8-7-18(3)25-14-19;1-15-5-8-20-18(12-15)23-21-4-3-10-28(21)11-9-22(23)29(20)14-19(26-27-24)17-7-6-16(2)25-13-17;1-15-5-6-17-16(12-15)21-18-4-3-10-28(18)11-7-19(21)29(17)14-22(2,26-27-23)20-13-24-8-9-25-20/h7-10,12-13,17,24,26,31H,2-6,11,14-16,18H2,1H3;6-9,13-14,17,22H,4-5,10-12,15H2,1-3H3;5-8,12-13,19,21H,3-4,9-11,14H2,1-2H3;5-6,8-9,12-13,18H,3-4,7,10-11,14H2,1-2H3.
What are the key properties of 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole has a molecular weight of 1565.09 g/mol, XLogP of 20.85, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-azido-2-(6-methyl-3-pyridinyl)ethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;5-[2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethoxy]pent-1-en-2-ol;10-methyl-7-[2-(6-methyl-3-pyridinyl)propyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is sourced from PubChem (CID 157353812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).