1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone

C23H20F3N3O6 — CID 102447167

IUPAC1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone
SMILESCn1c2c(c(=O)n(C)c1=O)C1(C(=O)Nc3ccc(OC(F)(F)F)cc31)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C23H20F3N3O6/c1-21(2)8-13(30)15-14(9-21)34-18-16(17(31)28(3)20(33)29(18)4)22(15)11-7-10(35-23(24,25)26)5-6-12(11)27-19(22)32/h5-7H,8-9H2,1-4H3,(H,27,32)
InChIKeyIAAAWIFIMJOZRG-UHFFFAOYSA-N
MW491.42 g/mol
LogP2.26
Rot. Bonds1

About 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone

1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone (PubChem CID 102447167) has the molecular formula C23H20F3N3O6 and a molecular weight of 491.42 g/mol. Its IUPAC name is 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone.

Molecular Properties

Compound Name1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone
PubChem CID102447167
Molecular FormulaC23H20F3N3O6
Molecular Weight491.42 g/mol
Exact Mass491.13
IUPAC Name1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone
SMILESCn1c2c(c(=O)n(C)c1=O)C1(C(=O)Nc3ccc(OC(F)(F)F)cc31)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C23H20F3N3O6/c1-21(2)8-13(30)15-14(9-21)34-18-16(17(31)28(3)20(33)29(18)4)22(15)11-7-10(35-23(24,25)26)5-6-12(11)27-19(22)32/h5-7H,8-9H2,1-4H3,(H,27,32)
InChIKeyIAAAWIFIMJOZRG-UHFFFAOYSA-N
XLogP2.26
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone with MolForge

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Related Compounds

ethyl 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
CID 66557741
ethyl (3R)-2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
CID 97038245
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione
CID 46901853
2'-amino-5-iodo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 71553109
3-butyl-3-ethyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 106702214
(2'S,3R)-2'-(hydroxymethyl)-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915744
(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one
CID 7333227
(3R)-2'-amino-4-bromo-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 1099087
5'-bromo-8,8-dimethylspiro[1,7,9,10-tetrahydropyrimido[4,5-b]quinoline-5,3'-1H-indole]-2,2',4,6-tetrone
CID 102490687
methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23914150
3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione
CID 122387230

Frequently Asked Questions

What is the IUPAC name of 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone?
The IUPAC name of 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone (CID 102447167) is 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone.
What is the SMILES notation for 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone?
The canonical SMILES for 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone is Cn1c2c(c(=O)n(C)c1=O)C1(C(=O)Nc3ccc(OC(F)(F)F)cc31)C1=C(CC(C)(C)CC1=O)O2.
What is the InChIKey of 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone?
The InChIKey is IAAAWIFIMJOZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O6/c1-21(2)8-13(30)15-14(9-21)34-18-16(17(31)28(3)20(33)29(18)4)22(15)11-7-10(35-23(24,25)26)5-6-12(11)27-19(22)32/h5-7H,8-9H2,1-4H3,(H,27,32).
What are the key properties of 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone?
1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone has a molecular weight of 491.42 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone is sourced from PubChem (CID 102447167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).