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

C25H30FN3O — CID 73296448

IUPAC1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(C)(F)CN2CCCC12
InChIInChI=1S/C25H30FN3O/c1-16-11-17(2)22-19(12-16)21-20-8-6-10-28(20)14-24(3,26)23(21)29(22)15-25(4,30)18-7-5-9-27-13-18/h5,7,9,11-13,20,30H,6,8,10,14-15H2,1-4H3
InChIKeyVTDAWDXDBHQNIA-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.90
Rot. Bonds3

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

1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 73296448) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID73296448
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(C)(F)CN2CCCC12
InChIInChI=1S/C25H30FN3O/c1-16-11-17(2)22-19(12-16)21-20-8-6-10-28(20)14-24(3,26)23(21)29(22)15-25(4,30)18-7-5-9-27-13-18/h5,7,9,11-13,20,30H,6,8,10,14-15H2,1-4H3
InChIKeyVTDAWDXDBHQNIA-UHFFFAOYSA-N
XLogP4.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
2'-(1,5-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176173
US10660877, Example 22
CID 134329793
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
CID 134563650
(1S,5R)-3-(4-fluorophenyl)-8-(1H-indol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25129809
[4-[1-(1-Methylindol-5-yl)ethenyl]quinolin-2-yl]methanol
CID 155554830
(S)-1-(6-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)pyridin-2-yl)ethane-1,2-diol
CID 118414674
US10683290, Example 49
CID 155802712
3-(Dimethylamino)-1-(1-methyl-1H-indol-3-yl)-1-phenylpropan-1-ol
CID 59462
US10683290, Example 48
CID 155802711
US10660877, Example 58
CID 134329903
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-pyridin-3-ylbutan-1-ol;dihydrochloride
CID 45262713

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (CID 73296448) is 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol is Cc1cc(C)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(C)(F)CN2CCCC12.
What is the InChIKey of 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is VTDAWDXDBHQNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-16-11-17(2)22-19(12-16)21-20-8-6-10-28(20)14-24(3,26)23(21)29(22)15-25(4,30)18-7-5-9-27-13-18/h5,7,9,11-13,20,30H,6,8,10,14-15H2,1-4H3.
What are the key properties of 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?
1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 407.53 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-6,8,10-trimethyl-2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 73296448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).