6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium

C21H19F3N3O3Re- — CID 163614964

IUPAC6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium
SMILESCc1[nH][n-]c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2.[Re]
InChIInChI=1S/C21H20F3N3O3.Re/c1-11-15(17(29)26-25-11)20(21(22,23)24)16-13(9-19(2,3)10-14(16)28)27(18(20)30)12-7-5-4-6-8-12;/h4-8H,9-10H2,1-3H3,(H2,25,26,29);/p-1
InChIKeyQQOSOUWJSQXLGK-UHFFFAOYSA-M
MW604.60 g/mol
LogP3.13
Rot. Bonds2

About 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium

6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium (PubChem CID 163614964) has the molecular formula C21H19F3N3O3Re- and a molecular weight of 604.60 g/mol. Its IUPAC name is 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium.

Molecular Properties

Compound Name6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium
PubChem CID163614964
Molecular FormulaC21H19F3N3O3Re-
Molecular Weight604.60 g/mol
Exact Mass605.09
IUPAC Name6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium
SMILESCc1[nH][n-]c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2.[Re]
InChIInChI=1S/C21H20F3N3O3.Re/c1-11-15(17(29)26-25-11)20(21(22,23)24)16-13(9-19(2,3)10-14(16)28)27(18(20)30)12-7-5-4-6-8-12;/h4-8H,9-10H2,1-3H3,(H2,25,26,29);/p-1
InChIKeyQQOSOUWJSQXLGK-UHFFFAOYSA-M
XLogP3.13
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 5204175
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
N-[(3S)-1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide
CID 2032445
(3R)-6,6-dimethyl-1-(4-methylphenyl)-3-(1,3-thiazol-2-ylamino)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
CID 2020503
N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 92651732
N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2965057
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
1-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-3-yl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
CID 16764179
N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 17087870
(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 7426343
1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide
CID 102344144
N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 2001159

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium?
The IUPAC name of 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium (CID 163614964) is 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium.
What is the SMILES notation for 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium?
The canonical SMILES for 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium is Cc1[nH][n-]c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2.[Re].
What is the InChIKey of 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium?
The InChIKey is QQOSOUWJSQXLGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20F3N3O3.Re/c1-11-15(17(29)26-25-11)20(21(22,23)24)16-13(9-19(2,3)10-14(16)28)27(18(20)30)12-7-5-4-6-8-12;/h4-8H,9-10H2,1-3H3,(H2,25,26,29);/p-1.
What are the key properties of 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium?
6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium has a molecular weight of 604.60 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium is sourced from PubChem (CID 163614964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).