2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol

C23H26FN3O — CID 118489645

IUPAC2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccnc(F)c2)CCN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-15-5-6-18-17(12-15)22-19-4-3-10-26(19)11-8-20(22)27(18)14-23(2,28)16-7-9-25-21(24)13-16/h5-7,9,12-13,19,28H,3-4,8,10-11,14H2,1-2H3
InChIKeySSTGYLYNNDYOBF-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.08
Rot. Bonds3

About 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol

2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol (PubChem CID 118489645) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
PubChem CID118489645
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccnc(F)c2)CCN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-15-5-6-18-17(12-15)22-19-4-3-10-26(19)11-8-20(22)27(18)14-23(2,28)16-7-9-25-21(24)13-16/h5-7,9,12-13,19,28H,3-4,8,10-11,14H2,1-2H3
InChIKeySSTGYLYNNDYOBF-UHFFFAOYSA-N
XLogP4.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol (CID 118489645) is 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccnc(F)c2)CCN2CCCC12.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
The InChIKey is SSTGYLYNNDYOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-5-6-18-17(12-15)22-19-4-3-10-26(19)11-8-20(22)27(18)14-23(2,28)16-7-9-25-21(24)13-16/h5-7,9,12-13,19,28H,3-4,8,10-11,14H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?
2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol is sourced from PubChem (CID 118489645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).