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

C25H31N3O — CID 73331529

IUPAC1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(C)CN2CCCC12
InChIInChI=1S/C25H31N3O/c1-16-12-17(2)23-19(13-16)22-20-6-5-11-27(20)15-25(3,4)24(22)28(23)14-21(29)18-7-9-26-10-8-18/h7-10,12-13,20-21,29H,5-6,11,14-15H2,1-4H3
InChIKeyVAPCHYZQSMTAOW-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.81
Rot. Bonds3

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

1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol (PubChem CID 73331529) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol.

Molecular Properties

Compound Name1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol
PubChem CID73331529
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(C)CN2CCCC12
InChIInChI=1S/C25H31N3O/c1-16-12-17(2)23-19(13-16)22-20-6-5-11-27(20)15-25(3,4)24(22)28(23)14-21(29)18-7-9-26-10-8-18/h7-10,12-13,20-21,29H,5-6,11,14-15H2,1-4H3
InChIKeyVAPCHYZQSMTAOW-UHFFFAOYSA-N
XLogP4.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol?
The IUPAC name of 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol (CID 73331529) is 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol.
What is the SMILES notation for 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol?
The canonical SMILES for 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol is Cc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C(C)(C)CN2CCCC12.
What is the InChIKey of 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol?
The InChIKey is VAPCHYZQSMTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-16-12-17(2)23-19(13-16)22-20-6-5-11-27(20)15-25(3,4)24(22)28(23)14-21(29)18-7-9-26-10-8-18/h7-10,12-13,20-21,29H,5-6,11,14-15H2,1-4H3.
What are the key properties of 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol?
1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol has a molecular weight of 389.54 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2-(6,6,8,10-tetramethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)ethanol is sourced from PubChem (CID 73331529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).