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

C24H28FN3O — CID 118489671

IUPAC2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(F)CN2CCCC12
InChIInChI=1S/C24H28FN3O/c1-15-11-16(2)22-18(12-15)21-19-5-4-10-27(19)14-24(3,25)23(21)28(22)13-20(29)17-6-8-26-9-7-17/h6-9,11-12,19-20,29H,4-5,10,13-14H2,1-3H3
InChIKeyUHVNKGOOGYSXBN-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.72
Rot. Bonds3

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

2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 118489671) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
PubChem CID118489671
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(F)CN2CCCC12
InChIInChI=1S/C24H28FN3O/c1-15-11-16(2)22-18(12-15)21-19-5-4-10-27(19)14-24(3,25)23(21)28(22)13-20(29)17-6-8-26-9-7-17/h6-9,11-12,19-20,29H,4-5,10,13-14H2,1-3H3
InChIKeyUHVNKGOOGYSXBN-UHFFFAOYSA-N
XLogP4.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 118489671) is 2-(6-fluoro-6,8,10-trimethyl-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-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is Cc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(F)CN2CCCC12.
What is the InChIKey of 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is UHVNKGOOGYSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-15-11-16(2)22-18(12-15)21-19-5-4-10-27(19)14-24(3,25)23(21)28(22)13-20(29)17-6-8-26-9-7-17/h6-9,11-12,19-20,29H,4-5,10,13-14H2,1-3H3.
What are the key properties of 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?
2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 393.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 118489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).