(5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

C24H24FN3O2 — CID 92560378

IUPAC(5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCc1ccc2cc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C24H24FN3O2/c1-15-3-4-17-14-20(26-19(17)13-15)23(30)28-12-2-10-24(11-9-21(29)27-24)22(28)16-5-7-18(25)8-6-16/h3-8,13-14,22,26H,2,9-12H2,1H3,(H,27,29)/t22-,24+/m1/s1
InChIKeyLADWICGMANLHQZ-VWNXMTODSA-N
MW405.47 g/mol
LogP4.24
Rot. Bonds2

About (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 92560378) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID92560378
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCc1ccc2cc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C24H24FN3O2/c1-15-3-4-17-14-20(26-19(17)13-15)23(30)28-12-2-10-24(11-9-21(29)27-24)22(28)16-5-7-18(25)8-6-16/h3-8,13-14,22,26H,2,9-12H2,1H3,(H,27,29)/t22-,24+/m1/s1
InChIKeyLADWICGMANLHQZ-VWNXMTODSA-N
XLogP4.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,10R)-9-(4-methoxy-1H-indole-2-carbonyl)-10-(4-methoxyphenyl)-1,9-diazaspiro[4.5]decan-2-one
CID 92596539
(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 92560285
1-[(4aS,8aR)-4a-methyl-5-(6-methyl-1H-indole-2-carbonyl)-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110133579
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one
CID 92576569
[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 77421286
(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 102558162
[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 99811059
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 97007040
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
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4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 92560378) is (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is Cc1ccc2cc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LADWICGMANLHQZ-VWNXMTODSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-3-4-17-14-20(26-19(17)13-15)23(30)28-12-2-10-24(11-9-21(29)27-24)22(28)16-5-7-18(25)8-6-16/h3-8,13-14,22,26H,2,9-12H2,1H3,(H,27,29)/t22-,24+/m1/s1.
What are the key properties of (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 405.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-(4-fluorophenyl)-9-(6-methyl-1H-indole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 92560378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).