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

C23H26ClN3O — CID 53373156

IUPAC1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)C1CCCN1CC2
InChIInChI=1S/C23H26ClN3O/c1-23(28,16-5-3-8-25-14-16)13-15-11-17(24)12-18-21-19(26(2)22(15)18)7-10-27-9-4-6-20(21)27/h3,5,8,11-12,14,20,28H,4,6-7,9-10,13H2,1-2H3
InChIKeyHVRLYCUHQXSRJR-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.37
Rot. Bonds3

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

1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 53373156) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID53373156
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)C1CCCN1CC2
InChIInChI=1S/C23H26ClN3O/c1-23(28,16-5-3-8-25-14-16)13-15-11-17(24)12-18-21-19(26(2)22(15)18)7-10-27-9-4-6-20(21)27/h3,5,8,11-12,14,20,28H,4,6-7,9-10,13H2,1-2H3
InChIKeyHVRLYCUHQXSRJR-UHFFFAOYSA-N
XLogP4.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol (CID 53373156) is 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol is Cn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)C1CCCN1CC2.
What is the InChIKey of 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is HVRLYCUHQXSRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-23(28,16-5-3-8-25-14-16)13-15-11-17(24)12-18-21-19(26(2)22(15)18)7-10-27-9-4-6-20(21)27/h3,5,8,11-12,14,20,28H,4,6-7,9-10,13H2,1-2H3.
What are the key properties of 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol?
1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 395.93 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-chloro-7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 53373156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).