6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one

C26H25FN4O2 — CID 129126909

IUPAC6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2ccc4c(c2F)N(C)C(=O)C4(C)C)C(=O)C3(C)C)cn1
InChIInChI=1S/C26H25FN4O2/c1-14-28-12-16(13-29-14)15-7-8-17-20(11-15)31(24(33)25(17,2)3)19-10-9-18-22(21(19)27)30(6)23(32)26(18,4)5/h7-13H,1-6H3
InChIKeyCORRWZHCYFJMBA-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.80
Rot. Bonds2

About 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one

6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one (PubChem CID 129126909) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one
PubChem CID129126909
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2ccc4c(c2F)N(C)C(=O)C4(C)C)C(=O)C3(C)C)cn1
InChIInChI=1S/C26H25FN4O2/c1-14-28-12-16(13-29-14)15-7-8-17-20(11-15)31(24(33)25(17,2)3)19-10-9-18-22(21(19)27)30(6)23(32)26(18,4)5/h7-13H,1-6H3
InChIKeyCORRWZHCYFJMBA-UHFFFAOYSA-N
XLogP4.80
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one with MolForge

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Related Compounds

Gsk2656157
CID 53469059
Gsk-2606414
CID 53469448
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
1-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-fluorophenyl)ethan-1-one
CID 53467178
5-{1-[(2-fluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53467824
5-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53468254
1-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(o-tolyl)ethan-1-one
CID 53469453
7-methyl-5-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53469629
Perk-IN-2
CID 66561090
GSK PERK Inhibitor
CID 66561167
1-(3,4-Dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 25173666
1'-[(1-Methylimidazol-2-yl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 44462748

Frequently Asked Questions

What is the IUPAC name of 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one (CID 129126909) is 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2ccc4c(c2F)N(C)C(=O)C4(C)C)C(=O)C3(C)C)cn1.
What is the InChIKey of 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one?
The InChIKey is CORRWZHCYFJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-14-28-12-16(13-29-14)15-7-8-17-20(11-15)31(24(33)25(17,2)3)19-10-9-18-22(21(19)27)30(6)23(32)26(18,4)5/h7-13H,1-6H3.
What are the key properties of 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one?
6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one has a molecular weight of 444.51 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 129126909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).