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

C23H26FN3O — CID 73296447

IUPAC2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(F)CN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-15-5-6-18-17(12-15)21-19-4-3-11-26(19)14-23(2,24)22(21)27(18)13-20(28)16-7-9-25-10-8-16/h5-10,12,19-20,28H,3-4,11,13-14H2,1-2H3
InChIKeyMMOPYNCEPWGYNN-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.41
Rot. Bonds3

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

2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73296447) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID73296447
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(F)CN2CCCC12
InChIInChI=1S/C23H26FN3O/c1-15-5-6-18-17(12-15)21-19-4-3-11-26(19)14-23(2,24)22(21)27(18)13-20(28)16-7-9-25-10-8-16/h5-10,12,19-20,28H,3-4,11,13-14H2,1-2H3
InChIKeyMMOPYNCEPWGYNN-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 73296447) is 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(F)CN2CCCC12.
What is the InChIKey of 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is MMOPYNCEPWGYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-5-6-18-17(12-15)21-19-4-3-11-26(19)14-23(2,24)22(21)27(18)13-20(28)16-7-9-25-10-8-16/h5-10,12,19-20,28H,3-4,11,13-14H2,1-2H3.
What are the key properties of 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 379.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-6,10-dimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 73296447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).