1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol

C45H50N6O2 — CID 123392539

IUPAC1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc2[nH]c3c(c2c1)C1CC(c2cc(C(O)CC4CN5CCCC5c5c4n(C)c4ccccc54)ccn2)CN1CC3CC(C)(O)c1cccnc1
InChIInChI=1S/C45H50N6O2/c1-27-12-13-35-34(18-27)41-39-20-29(24-51(39)26-31(43(41)48-35)22-45(2,53)32-8-6-15-46-23-32)36-19-28(14-16-47-36)40(52)21-30-25-50-17-7-11-38(50)42-33-9-4-5-10-37(33)49(3)44(30)42/h4-6,8-10,12-16,18-19,23,29-31,38-40,48,52-53H,7,11,17,20-22,24-26H2,1-3H3
InChIKeyIMZFHBGDQTWSAS-UHFFFAOYSA-N
MW706.94 g/mol
LogP8.04
Rot. Bonds7

About 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol

1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol (PubChem CID 123392539) has the molecular formula C45H50N6O2 and a molecular weight of 706.94 g/mol. Its IUPAC name is 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol
PubChem CID123392539
Molecular FormulaC45H50N6O2
Molecular Weight706.94 g/mol
Exact Mass706.40
IUPAC Name1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc2[nH]c3c(c2c1)C1CC(c2cc(C(O)CC4CN5CCCC5c5c4n(C)c4ccccc54)ccn2)CN1CC3CC(C)(O)c1cccnc1
InChIInChI=1S/C45H50N6O2/c1-27-12-13-35-34(18-27)41-39-20-29(24-51(39)26-31(43(41)48-35)22-45(2,53)32-8-6-15-46-23-32)36-19-28(14-16-47-36)40(52)21-30-25-50-17-7-11-38(50)42-33-9-4-5-10-37(33)49(3)44(30)42/h4-6,8-10,12-16,18-19,23,29-31,38-40,48,52-53H,7,11,17,20-22,24-26H2,1-3H3
InChIKeyIMZFHBGDQTWSAS-UHFFFAOYSA-N
XLogP8.04
TPSA93.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.94
LogP ≤ 58.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol with MolForge

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Related Compounds

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Strychochrysine
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3',4',5',6'-Tetradehydrolongicaudatine Y
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(1R,11S,12R,13R,14Z,19S,21S)-10-(3-ethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium-2-yl)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol
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(1S,11R,12S,13R,14Z,19S,21S)-10-(3-ethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium-2-yl)-14-ethylidene-16-methyl-8-aza-16-azoniahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol
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(1R,11S,12R,13R,14E,19S)-14-ethylidene-10-[(2S,3E)-3-ethylidene-1,2,4,12-tetrahydroindolo[2,3-a]quinolizin-5-ium-2-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol
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(7R,8aS)-7-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol (CID 123392539) is 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol is Cc1ccc2[nH]c3c(c2c1)C1CC(c2cc(C(O)CC4CN5CCCC5c5c4n(C)c4ccccc54)ccn2)CN1CC3CC(C)(O)c1cccnc1.
What is the InChIKey of 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol?
The InChIKey is IMZFHBGDQTWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N6O2/c1-27-12-13-35-34(18-27)41-39-20-29(24-51(39)26-31(43(41)48-35)22-45(2,53)32-8-6-15-46-23-32)36-19-28(14-16-47-36)40(52)21-30-25-50-17-7-11-38(50)42-33-9-4-5-10-37(33)49(3)44(30)42/h4-6,8-10,12-16,18-19,23,29-31,38-40,48,52-53H,7,11,17,20-22,24-26H2,1-3H3.
What are the key properties of 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol?
1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol has a molecular weight of 706.94 g/mol, XLogP of 8.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-hydroxy-2-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-6-yl)ethyl]-2-pyridinyl]-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-6-yl]-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 123392539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).