N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

C17H19F3N6O3S — CID 11604692

IUPACN-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C17H19F3N6O3S/c1-26(6-5-22-30(2,28)29)15-12(17(18,19)20)9-21-16(25-15)23-11-3-4-13-10(7-11)8-14(27)24-13/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,24,27)(H,21,23,25)
InChIKeyYASBQSYMESIMBW-UHFFFAOYSA-N
MW444.44 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 11604692) has the molecular formula C17H19F3N6O3S and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID11604692
Molecular FormulaC17H19F3N6O3S
Molecular Weight444.44 g/mol
Exact Mass444.12
IUPAC NameN-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C17H19F3N6O3S/c1-26(6-5-22-30(2,28)29)15-12(17(18,19)20)9-21-16(25-15)23-11-3-4-13-10(7-11)8-14(27)24-13/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,24,27)(H,21,23,25)
InChIKeyYASBQSYMESIMBW-UHFFFAOYSA-N
XLogP1.72
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonic acid
CID 11697374
N-methyl-N-[4-methyl-3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 11577243
N-methyl-N-[3-[methyl(methylsulfonyl)amino]-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 11996007
N-[3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]propane-2-sulfonamide
CID 172818265
5-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]pentane-2-sulfonamide
CID 161242905
N-methyl-N-[3-methyl-4-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 11996440
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrimidin-4-yl]methanesulfonamide
CID 11996298
N-methyl-N-[3-methyl-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4-pyridinyl]methanesulfonamide
CID 11692139
5-[[5-(trifluoromethyl)-4-[(1,2,2-trifluoro-3-oxocyclopropyl)amino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 142685603
N-methyl-N-[3-(methylsulfonylmethylamino)-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 11642972
5-[[4-[2-(2-hydroxyphenyl)ethylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 90867504
1-amino-1-oxo-3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propane-2-sulfonic acid
CID 141256901

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 11604692) is N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)c1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F.
What is the InChIKey of N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is YASBQSYMESIMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O3S/c1-26(6-5-22-30(2,28)29)15-12(17(18,19)20)9-21-16(25-15)23-11-3-4-13-10(7-11)8-14(27)24-13/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,24,27)(H,21,23,25).
What are the key properties of N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 444.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 11604692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).