10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one

C23H26N2O — CID 123925974

IUPAC10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one
SMILESCC12CCNC(=O)C=C1CCC1C3=CC=C(c4cccnc4)C3CCC12
InChIInChI=1S/C23H26N2O/c1-23-10-12-25-22(26)13-16(23)4-5-20-19-7-6-17(15-3-2-11-24-14-15)18(19)8-9-21(20)23/h2-3,6-7,11,13-14,18,20-21H,4-5,8-10,12H2,1H3,(H,25,26)
InChIKeyURMNOUFHYYTPOH-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.29
Rot. Bonds1

About 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one

10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one (PubChem CID 123925974) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one.

Molecular Properties

Compound Name10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one
PubChem CID123925974
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one
SMILESCC12CCNC(=O)C=C1CCC1C3=CC=C(c4cccnc4)C3CCC12
InChIInChI=1S/C23H26N2O/c1-23-10-12-25-22(26)13-16(23)4-5-20-19-7-6-17(15-3-2-11-24-14-15)18(19)8-9-21(20)23/h2-3,6-7,11,13-14,18,20-21H,4-5,8-10,12H2,1H3,(H,25,26)
InChIKeyURMNOUFHYYTPOH-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one with MolForge

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Related Compounds

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
10,13-dimethyl-17-pyridin-3-yl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-3-one
CID 77405765
6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
CID 77405614
7-pyridin-3-yl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
CID 131275801
(8R,9R,10R,13S,14S)-7,10,13-trimethyl-17-pyridin-3-yl-1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 67225696
5,10a,12a-trimethyl-1-pyridin-3-yl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
CID 77405712
9a,11a-dimethyl-1-pyridin-3-yl-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]chromen-7-one
CID 76732019
17-(5-amino-3-pyridinyl)-10,13-dimethyl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
CID 77405515
(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
10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 123880316
(8R,9S,10R,13S,14S)-13-methyl-2-(4-pyridin-3-ylphenyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 67619119
(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 54288381

Frequently Asked Questions

What is the IUPAC name of 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one?
The IUPAC name of 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one (CID 123925974) is 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one.
What is the SMILES notation for 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one?
The canonical SMILES for 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one is CC12CCNC(=O)C=C1CCC1C3=CC=C(c4cccnc4)C3CCC12.
What is the InChIKey of 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one?
The InChIKey is URMNOUFHYYTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-23-10-12-25-22(26)13-16(23)4-5-20-19-7-6-17(15-3-2-11-24-14-15)18(19)8-9-21(20)23/h2-3,6-7,11,13-14,18,20-21H,4-5,8-10,12H2,1H3,(H,25,26).
What are the key properties of 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one?
10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one has a molecular weight of 346.47 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-methyl-1-pyridin-3-yl-3b,4,5,8,9,10,10b,11,12,12a-decahydroindeno[4,5-i][3]benzazepin-7-one is sourced from PubChem (CID 123925974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).