(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

C77H100N6O4 — CID 159880389

IUPAC(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
SMILESCN1C(=O)CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.COc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1.Cc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1
InChIInChI=1S/C26H34N2O2.C26H34N2O.C25H32N2O/c1-25-13-11-22-19(7-10-23-26(22,2)12-5-6-24(29)28(23)3)21(25)9-8-20(25)17-14-18(30-4)16-27-15-17;1-17-14-18(16-27-15-17)20-8-9-21-19-7-10-23-26(3,12-5-6-24(29)28(23)4)22(19)11-13-25(20,21)2;1-24-14-12-21-18(20(24)10-9-19(24)17-6-5-15-26-16-17)8-11-22-25(21,2)13-4-7-23(28)27(22)3/h8,10,14-16,19,21-22H,5-7,9,11-13H2,1-4H3;8,10,14-16,19,21-22H,5-7,9,11-13H2,1-4H3;5-6,9,11,15-16,18,20-21H,4,7-8,10,12-14H2,1-3H3/t2*19-,21-,22-,25+,26+;18-,20-,21-,24+,25+/m000/s1
InChIKeyNTLIFWYODFLMID-DCVHGEPASA-N
MW1173.68 g/mol
LogP16.68
Rot. Bonds4

About (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

(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 (PubChem CID 159880389) has the molecular formula C77H100N6O4 and a molecular weight of 1173.68 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159880389
Molecular FormulaC77H100N6O4
Molecular Weight1173.68 g/mol
Exact Mass1172.78
IUPAC Name(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
SMILESCN1C(=O)CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.COc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1.Cc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1
InChIInChI=1S/C26H34N2O2.C26H34N2O.C25H32N2O/c1-25-13-11-22-19(7-10-23-26(22,2)12-5-6-24(29)28(23)3)21(25)9-8-20(25)17-14-18(30-4)16-27-15-17;1-17-14-18(16-27-15-17)20-8-9-21-19-7-10-23-26(3,12-5-6-24(29)28(23)4)22(19)11-13-25(20,21)2;1-24-14-12-21-18(20(24)10-9-19(24)17-6-5-15-26-16-17)8-11-22-25(21,2)13-4-7-23(28)27(22)3/h8,10,14-16,19,21-22H,5-7,9,11-13H2,1-4H3;8,10,14-16,19,21-22H,5-7,9,11-13H2,1-4H3;5-6,9,11,15-16,18,20-21H,4,7-8,10,12-14H2,1-3H3/t2*19-,21-,22-,25+,26+;18-,20-,21-,24+,25+/m000/s1
InChIKeyNTLIFWYODFLMID-DCVHGEPASA-N
XLogP16.68
TPSA108.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.68
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

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
(3aS,3bS,9aR,9bS,11aS)-6-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 46205920
(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,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)-6,9a,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
(2R,11S,12S,16S)-2,16-dimethyl-15-(5-methyl-3-pyridinyl)-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene;(2R,11S,12S,16S)-2,16-dimethyl-15-(5-propoxy-3-pyridinyl)-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one;(2R,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene;(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one
CID 159303789
(3aS,3bS,9aR,9bS,11aS)-1-(5-methoxy-3-pyridinyl)-9a,11a-dimethyl-3,3a,3b,4,5,8,9,9b,10,11-decahydrocyclopenta[i]phenanthridin-7-one
CID 46203343
(3aS,9aR,9bS,11aS)-9a,11a-dimethyl-1-pyridin-3-yl-3,3a,3b,4,6,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
CID 46205268
(2S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-2-amine
CID 118523835
(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
2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione
CID 76533427
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1C(=O)CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.COc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1.Cc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1.
What is the InChIKey of (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?
The InChIKey is NTLIFWYODFLMID-DCVHGEPASA-N. The full InChI is InChI=1S/C26H34N2O2.C26H34N2O.C25H32N2O/c1-25-13-11-22-19(7-10-23-26(22,2)12-5-6-24(29)28(23)3)21(25)9-8-20(25)17-14-18(30-4)16-27-15-17;1-17-14-18(16-27-15-17)20-8-9-21-19-7-10-23-26(3,12-5-6-24(29)28(23)4)22(19)11-13-25(20,21)2;1-24-14-12-21-18(20(24)10-9-19(24)17-6-5-15-26-16-17)8-11-22-25(21,2)13-4-7-23(28)27(22)3/h8,10,14-16,19,21-22H,5-7,9,11-13H2,1-4H3;8,10,14-16,19,21-22H,5-7,9,11-13H2,1-4H3;5-6,9,11,15-16,18,20-21H,4,7-8,10,12-14H2,1-3H3/t2*19-,21-,22-,25+,26+;18-,20-,21-,24+,25+/m000/s1.
What are the key properties of (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?
(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 has a molecular weight of 1173.68 g/mol, XLogP of 16.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159880389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).