2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

C23H26FN3O — CID 73296305

IUPAC2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(F)CN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-14-10-15(2)22-17(11-14)21-19-4-3-9-26(19)12-18(24)23(21)27(22)13-20(28)16-5-7-25-8-6-16/h5-8,10-11,18-20,28H,3-4,9,12-13H2,1-2H3
InChIKeyRONXYMKNGFTDIE-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.55
Rot. Bonds3

About 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73296305) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID73296305
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(F)CN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-14-10-15(2)22-17(11-14)21-19-4-3-9-26(19)12-18(24)23(21)27(22)13-20(28)16-5-7-25-8-6-16/h5-8,10-11,18-20,28H,3-4,9,12-13H2,1-2H3
InChIKeyRONXYMKNGFTDIE-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 73296305) is 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(F)CN2CCCC12.
What is the InChIKey of 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is RONXYMKNGFTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-14-10-15(2)22-17(11-14)21-19-4-3-9-26(19)12-18(24)23(21)27(22)13-20(28)16-5-7-25-8-6-16/h5-8,10-11,18-20,28H,3-4,9,12-13H2,1-2H3.
What are the key properties of 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 379.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 73296305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).