1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol

C23H26ClN3O — CID 53373288

IUPAC1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)CN1CCCC1C2
InChIInChI=1S/C23H26ClN3O/c1-23(28,16-5-3-7-25-13-16)12-15-9-17(24)10-19-20-14-27-8-4-6-18(27)11-21(20)26(2)22(15)19/h3,5,7,9-10,13,18,28H,4,6,8,11-12,14H2,1-2H3
InChIKeyXUVNGFGXJHBHFO-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.20
Rot. Bonds3

About 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol

1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 53373288) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID53373288
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)CN1CCCC1C2
InChIInChI=1S/C23H26ClN3O/c1-23(28,16-5-3-7-25-13-16)12-15-9-17(24)10-19-20-14-27-8-4-6-18(27)11-21(20)26(2)22(15)19/h3,5,7,9-10,13,18,28H,4,6,8,11-12,14H2,1-2H3
InChIKeyXUVNGFGXJHBHFO-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol (CID 53373288) is 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol is Cn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)CN1CCCC1C2.
What is the InChIKey of 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is XUVNGFGXJHBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-23(28,16-5-3-7-25-13-16)12-15-9-17(24)10-19-20-14-27-8-4-6-18(27)11-21(20)26(2)22(15)19/h3,5,7,9-10,13,18,28H,4,6,8,11-12,14H2,1-2H3.
What are the key properties of 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol?
1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 395.93 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 53373288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).