6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

C23H23N7O2 — CID 161285312

IUPAC6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCC(C)(C)c1nc(Nc2ccc3c(c2)NC(=O)C3)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C23H23N7O2/c1-23(2,3)20-28-21(24-14-6-4-12-8-18(31)26-16(12)10-14)30-22(29-20)25-15-7-5-13-9-19(32)27-17(13)11-15/h4-7,10-11H,8-9H2,1-3H3,(H,26,31)(H,27,32)(H2,24,25,28,29,30)
InChIKeyRSASXBCDVIOIKI-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.65
Rot. Bonds4

About 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 161285312) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID161285312
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCC(C)(C)c1nc(Nc2ccc3c(c2)NC(=O)C3)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C23H23N7O2/c1-23(2,3)20-28-21(24-14-6-4-12-8-18(31)26-16(12)10-14)30-22(29-20)25-15-7-5-13-9-19(32)27-17(13)11-15/h4-7,10-11H,8-9H2,1-3H3,(H,26,31)(H,27,32)(H2,24,25,28,29,30)
InChIKeyRSASXBCDVIOIKI-UHFFFAOYSA-N
XLogP3.65
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 160703504
6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one
CID 158324489
6-[[4-[3-(methylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 157275377
6-(3-aminoanilino)-1,3-dihydroindol-2-one
CID 59397049
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]ethanesulfonamide
CID 91069880
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
6-[[4-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 69346217
6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163891686
N-[3-[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]propyl]-N-propan-2-ylmethanesulfonamide
CID 11525963
6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-2-carbonitrile
CID 133392551
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797937
6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one
CID 141220625

Frequently Asked Questions

What is the IUPAC name of 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 161285312) is 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is CC(C)(C)c1nc(Nc2ccc3c(c2)NC(=O)C3)nc(Nc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is RSASXBCDVIOIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-23(2,3)20-28-21(24-14-6-4-12-8-18(31)26-16(12)10-14)30-22(29-20)25-15-7-5-13-9-19(32)27-17(13)11-15/h4-7,10-11H,8-9H2,1-3H3,(H,26,31)(H,27,32)(H2,24,25,28,29,30).
What are the key properties of 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 429.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 161285312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).