6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one

C20H18F3N5O — CID 141220625

IUPAC6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one
SMILESCN1C=CC=C(Nc2cc(Nc3ccc4c(c3)NC(=O)C4)ncc2C(F)(F)F)C1
InChIInChI=1S/C20H18F3N5O/c1-28-6-2-3-14(11-28)25-17-9-18(24-10-15(17)20(21,22)23)26-13-5-4-12-7-19(29)27-16(12)8-13/h2-6,8-10H,7,11H2,1H3,(H,27,29)(H2,24,25,26)
InChIKeyGFNXQXODPOCMSZ-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.09
Rot. Bonds4

About 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one

6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one (PubChem CID 141220625) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one
PubChem CID141220625
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one
SMILESCN1C=CC=C(Nc2cc(Nc3ccc4c(c3)NC(=O)C4)ncc2C(F)(F)F)C1
InChIInChI=1S/C20H18F3N5O/c1-28-6-2-3-14(11-28)25-17-9-18(24-10-15(17)20(21,22)23)26-13-5-4-12-7-19(29)27-16(12)8-13/h2-6,8-10H,7,11H2,1H3,(H,27,29)(H2,24,25,26)
InChIKeyGFNXQXODPOCMSZ-UHFFFAOYSA-N
XLogP4.09
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
CID 58155038
5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157226376
6-[[4-[3-(methylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 157275377
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
6-[[4-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 69346217
5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide;N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157080428
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]ethanesulfonamide
CID 91069880
N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 58155051
5-[[5-(trifluoromethyl)-4-[(1,2,2-trifluoro-3-oxocyclopropyl)amino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 142685603
3-[[2-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]-1,4-oxazepan-5-one
CID 162767466
N-[3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]propane-2-sulfonamide
CID 172818265
6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 160703504

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one (CID 141220625) is 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one is CN1C=CC=C(Nc2cc(Nc3ccc4c(c3)NC(=O)C4)ncc2C(F)(F)F)C1.
What is the InChIKey of 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is GFNXQXODPOCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-28-6-2-3-14(11-28)25-17-9-18(24-10-15(17)20(21,22)23)26-13-5-4-12-7-19(29)27-16(12)8-13/h2-6,8-10H,7,11H2,1H3,(H,27,29)(H2,24,25,26).
What are the key properties of 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one?
6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 401.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 141220625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).