[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone

C23H24N2O2 — CID 58294482

IUPAC[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
SMILESCOc1ccc2c(c1C)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2
InChIInChI=1S/C23H24N2O2/c1-14-21(27-2)8-7-16-13-20-18(22(14)16)4-3-11-25(20)23(26)17-6-5-15-9-10-24-19(15)12-17/h5-8,10,12,18,20H,3-4,9,11,13H2,1-2H3/t18-,20-/m0/s1
InChIKeyMNIPUHKXGCGVDO-ICSRJNTNSA-N
MW360.46 g/mol
LogP4.21
Rot. Bonds2

About [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone

[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone (PubChem CID 58294482) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
PubChem CID58294482
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
SMILESCOc1ccc2c(c1C)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2
InChIInChI=1S/C23H24N2O2/c1-14-21(27-2)8-7-16-13-20-18(22(14)16)4-3-11-25(20)23(26)17-6-5-15-9-10-24-19(15)12-17/h5-8,10,12,18,20H,3-4,9,11,13H2,1-2H3/t18-,20-/m0/s1
InChIKeyMNIPUHKXGCGVDO-ICSRJNTNSA-N
XLogP4.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone with MolForge

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Related Compounds

[(4aR,9aS)-6-hydroxy-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294515
[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone
CID 58294403
[(4aR,9aS)-6-(1-methylpyrazol-4-yl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294495
3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
CID 58374925
(4aS)-4-(3H-indole-6-carbonyl)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-8-carboxamide
CID 58294613
[(9aS)-5-methyl-1-[3-(trifluoromethylsulfonyl)benzimidazole-5-carbonyl]-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-6-yl] trifluoromethanesulfonate
CID 58294488
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1,2-dihydroquinoxalin-6-yl)methanone
CID 141297422
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
1-(3,4-dimethoxybenzoyl)pyrrolidine-2-carbaldehyde
CID 74552344
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
3H-indol-5-yl-[(1R,9S)-5-methoxy-1,4,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 58375067
3H-indol-5-yl-[(1S,9S)-4-methoxy-1,5,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 58375306

Frequently Asked Questions

What is the IUPAC name of [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone?
The IUPAC name of [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone (CID 58294482) is [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone.
What is the SMILES notation for [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone?
The canonical SMILES for [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone is COc1ccc2c(c1C)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2.
What is the InChIKey of [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone?
The InChIKey is MNIPUHKXGCGVDO-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-14-21(27-2)8-7-16-13-20-18(22(14)16)4-3-11-25(20)23(26)17-6-5-15-9-10-24-19(15)12-17/h5-8,10,12,18,20H,3-4,9,11,13H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone?
[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone is sourced from PubChem (CID 58294482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).