1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one

C24H30N2O — CID 77405470

IUPAC1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
SMILESCc1cncc(C2=CCC3C4CC=C5N(C)C(=O)CC5(C)C4CCC23C)c1
InChIInChI=1S/C24H30N2O/c1-15-11-16(14-25-13-15)18-6-7-19-17-5-8-21-24(3,12-22(27)26(21)4)20(17)9-10-23(18,19)2/h6,8,11,13-14,17,19-20H,5,7,9-10,12H2,1-4H3
InChIKeyYCWOFCOUQLGHES-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.98
Rot. Bonds1

About 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one

1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one (PubChem CID 77405470) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one.

Molecular Properties

Compound Name1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
PubChem CID77405470
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
SMILESCc1cncc(C2=CCC3C4CC=C5N(C)C(=O)CC5(C)C4CCC23C)c1
InChIInChI=1S/C24H30N2O/c1-15-11-16(14-25-13-15)18-6-7-19-17-5-8-21-24(3,12-22(27)26(21)4)20(17)9-10-23(18,19)2/h6,8,11,13-14,17,19-20H,5,7,9-10,12H2,1-4H3
InChIKeyYCWOFCOUQLGHES-UHFFFAOYSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3aR,3bS,5aS,8aS,8bS)-6-(5-ethoxy-3-pyridinyl)-1,3a,5a-trimethyl-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
CID 134132595
(3aS,3bS,10aR,10bS,12aS)-6,10a,12a-trimethyl-1-(5-methyl-3-pyridinyl)-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one;(3aS,3bS,10aR,10bS,12aS)-6,10a,12a-trimethyl-1-pyridin-3-yl-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one;(3aS,3bS,10aR,10bS,12aS)-1-(5-methoxy-3-pyridinyl)-6,10a,12a-trimethyl-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one
CID 159880389
10a,12a-dimethyl-1-(5-methyl-3-pyridinyl)-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-one
CID 77405375
(3aS,3bS,9aR,9bS,11aS)-1-(2-aminopyrimidin-5-yl)-6,9a,11a-trimethyl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 68793245
(3aS,3bS,9aR,9bS,11aS)-1-(5-chloro-3-pyridinyl)-9a,11a-dimethyl-6-propyl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 46206594
(3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(4-methyl-3-pyridinyl)-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 46205598
2,16-dimethyl-15-(5-methyl-3-pyridinyl)-5-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 123238411
(3aS,3bR,9aR,9bS,11aS)-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,7-dione
CID 10063447
(3aS,3bS,9aR,9bS,11aS)-6-[2-(dimethylamino)ethyl]-9a,11a-dimethyl-1-pyridin-3-yl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 68790047
(3aS,3bS,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-1-pyridin-4-yl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 68794181
3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine
CID 77405721
N-[10,13-dimethyl-17-(5-methyl-3-pyridinyl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylacetamide
CID 77405395

Frequently Asked Questions

What is the IUPAC name of 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one?
The IUPAC name of 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one (CID 77405470) is 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one.
What is the SMILES notation for 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one?
The canonical SMILES for 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one is Cc1cncc(C2=CCC3C4CC=C5N(C)C(=O)CC5(C)C4CCC23C)c1.
What is the InChIKey of 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one?
The InChIKey is YCWOFCOUQLGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-15-11-16(14-25-13-15)18-6-7-19-17-5-8-21-24(3,12-22(27)26(21)4)20(17)9-10-23(18,19)2/h6,8,11,13-14,17,19-20H,5,7,9-10,12H2,1-4H3.
What are the key properties of 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one?
1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one has a molecular weight of 362.52 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one is sourced from PubChem (CID 77405470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).