1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol

C22H24ClN3O — CID 53373157

IUPAC1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cc(Cl)cc2c3c([nH]c12)CCN1CCCC31)c1cccnc1
InChIInChI=1S/C22H24ClN3O/c1-22(27,15-4-2-7-24-13-15)12-14-10-16(23)11-17-20-18(25-21(14)17)6-9-26-8-3-5-19(20)26/h2,4,7,10-11,13,19,25,27H,3,5-6,8-9,12H2,1H3
InChIKeyPEIYPEBDHKUTRQ-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.36
Rot. Bonds3

About 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol

1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 53373157) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID53373157
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cc(Cl)cc2c3c([nH]c12)CCN1CCCC31)c1cccnc1
InChIInChI=1S/C22H24ClN3O/c1-22(27,15-4-2-7-24-13-15)12-14-10-16(23)11-17-20-18(25-21(14)17)6-9-26-8-3-5-19(20)26/h2,4,7,10-11,13,19,25,27H,3,5-6,8-9,12H2,1H3
InChIKeyPEIYPEBDHKUTRQ-UHFFFAOYSA-N
XLogP4.36
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol (CID 53373157) is 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol is CC(O)(Cc1cc(Cl)cc2c3c([nH]c12)CCN1CCCC31)c1cccnc1.
What is the InChIKey of 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is PEIYPEBDHKUTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-22(27,15-4-2-7-24-13-15)12-14-10-16(23)11-17-20-18(25-21(14)17)6-9-26-8-3-5-19(20)26/h2,4,7,10-11,13,19,25,27H,3,5-6,8-9,12H2,1H3.
What are the key properties of 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 381.91 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-chloro-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 53373157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).