(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one

C25H27N3O4 — CID 92596539

IUPAC(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc([C@H]2N(C(=O)c3cc4c(OC)cccc4[nH]3)CCC[C@]23CCC(=O)N3)cc1
InChIInChI=1S/C25H27N3O4/c1-31-17-9-7-16(8-10-17)23-25(13-11-22(29)27-25)12-4-14-28(23)24(30)20-15-18-19(26-20)5-3-6-21(18)32-2/h3,5-10,15,23,26H,4,11-14H2,1-2H3,(H,27,29)/t23-,25+/m1/s1
InChIKeyQXQFKTKYTILKGS-NOZRDPDXSA-N
MW433.51 g/mol
LogP3.81
Rot. Bonds4

About (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 92596539) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID92596539
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc([C@H]2N(C(=O)c3cc4c(OC)cccc4[nH]3)CCC[C@]23CCC(=O)N3)cc1
InChIInChI=1S/C25H27N3O4/c1-31-17-9-7-16(8-10-17)23-25(13-11-22(29)27-25)12-4-14-28(23)24(30)20-15-18-19(26-20)5-3-6-21(18)32-2/h3,5-10,15,23,26H,4,11-14H2,1-2H3,(H,27,29)/t23-,25+/m1/s1
InChIKeyQXQFKTKYTILKGS-NOZRDPDXSA-N
XLogP3.81
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 92560285
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
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(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
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1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
2-[1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795722
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 136587475
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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methyl (2S)-2-[[(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163810900

Frequently Asked Questions

What is the IUPAC name of (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one (CID 92596539) is (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one is COc1ccc([C@H]2N(C(=O)c3cc4c(OC)cccc4[nH]3)CCC[C@]23CCC(=O)N3)cc1.
What is the InChIKey of (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is QXQFKTKYTILKGS-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-17-9-7-16(8-10-17)23-25(13-11-22(29)27-25)12-4-14-28(23)24(30)20-15-18-19(26-20)5-3-6-21(18)32-2/h3,5-10,15,23,26H,4,11-14H2,1-2H3,(H,27,29)/t23-,25+/m1/s1.
What are the key properties of (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 92596539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).