7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

C22H25N7 — CID 71008314

IUPAC7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
SMILESCc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cnccn2)CCN2CCCC12
InChIInChI=1S/C22H25N7/c1-15-5-6-17-16(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/h5-6,8-9,12-13,18H,3-4,7,10-11,14H2,1-2H3
InChIKeyTVWJGSRXCYNQBC-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.66
Rot. Bonds4

About 7-(2-azido-2-pyrazin-2-ylpropyl)-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 (PubChem CID 71008314) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.

Molecular Properties

Compound Name7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
PubChem CID71008314
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
SMILESCc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cnccn2)CCN2CCCC12
InChIInChI=1S/C22H25N7/c1-15-5-6-17-16(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/h5-6,8-9,12-13,18H,3-4,7,10-11,14H2,1-2H3
InChIKeyTVWJGSRXCYNQBC-UHFFFAOYSA-N
XLogP4.66
TPSA82.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-amine;methane
CID 161420871
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol
CID 71007540
1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
CID 71007637
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(3-tritylimidazol-4-yl)ethanol
CID 71268624
2-pyridin-4-yl-1-[10-(trifluoromethyl)-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]propan-2-ol
CID 73331113
3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide
CID 71007695
14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 71007600
7-(6,7-dihydrocyclopenta[c]pyridin-5-ylidenemethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
CID 123933806
1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
CID 73050893
1-[11c-(fluoromethyl)-8,10-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
CID 159126664
(1S)-2-[(11cR)-9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol
CID 118481729
1-(11-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
CID 73296739

Frequently Asked Questions

What is the IUPAC name of 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The IUPAC name of 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (CID 71008314) is 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.
What is the SMILES notation for 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The canonical SMILES for 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is Cc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cnccn2)CCN2CCCC12.
What is the InChIKey of 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The InChIKey is TVWJGSRXCYNQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-15-5-6-17-16(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/h5-6,8-9,12-13,18H,3-4,7,10-11,14H2,1-2H3.
What are the key properties of 7-(2-azido-2-pyrazin-2-ylpropyl)-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 has a molecular weight of 387.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-azido-2-pyrazin-2-ylpropyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is sourced from PubChem (CID 71008314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).