2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

C22H23F2N3O — CID 118489665

IUPAC2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1c(F)cc2c(c1F)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C22H23F2N3O/c1-13-15(23)11-18-21(22(13)24)20-16-3-2-9-26(16)10-6-17(20)27(18)12-19(28)14-4-7-25-8-5-14/h4-5,7-8,11,16,19,28H,2-3,6,9-10,12H2,1H3
InChIKeyNIQXASMBPFZQSA-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.05
Rot. Bonds3

About 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 118489665) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID118489665
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1c(F)cc2c(c1F)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C22H23F2N3O/c1-13-15(23)11-18-21(22(13)24)20-16-3-2-9-26(16)10-6-17(20)27(18)12-19(28)14-4-7-25-8-5-14/h4-5,7-8,11,16,19,28H,2-3,6,9-10,12H2,1H3
InChIKeyNIQXASMBPFZQSA-UHFFFAOYSA-N
XLogP4.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 118489665) is 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1c(F)cc2c(c1F)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.
What is the InChIKey of 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is NIQXASMBPFZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-13-15(23)11-18-21(22(13)24)20-16-3-2-9-26(16)10-6-17(20)27(18)12-19(28)14-4-7-25-8-5-14/h4-5,7-8,11,16,19,28H,2-3,6,9-10,12H2,1H3.
What are the key properties of 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 383.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,11-difluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 118489665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).