N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

C46H45F6N11O6S2 — CID 159298884

IUPACN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C24H24F3N5O3S.C22H21F3N6O3S/c1-32(36(2,34)35)21-6-4-3-5-17(21)13-28-22-20(24(25,26)27)14-29-23(31-22)30-18-9-7-16-12-19(33)10-8-15(16)11-18;1-31(35(2,33)34)20-14(4-3-7-26-20)11-27-19-18(22(23,24)25)12-28-21(30-19)29-16-6-5-13-9-17(32)10-15(13)8-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H2,28,29,30,31);3-8,12H,9-11H2,1-2H3,(H2,27,28,29,30)
InChIKeyLBBPSHCJFUUZAF-UHFFFAOYSA-N
MW1026.06 g/mol
LogP7.61
Rot. Bonds14

About N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 159298884) has the molecular formula C46H45F6N11O6S2 and a molecular weight of 1026.06 g/mol. Its IUPAC name is N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID159298884
Molecular FormulaC46H45F6N11O6S2
Molecular Weight1026.06 g/mol
Exact Mass1025.29
IUPAC NameN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C24H24F3N5O3S.C22H21F3N6O3S/c1-32(36(2,34)35)21-6-4-3-5-17(21)13-28-22-20(24(25,26)27)14-29-23(31-22)30-18-9-7-16-12-19(33)10-8-15(16)11-18;1-31(35(2,33)34)20-14(4-3-7-26-20)11-27-19-18(22(23,24)25)12-28-21(30-19)29-16-6-5-13-9-17(32)10-15(13)8-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H2,28,29,30,31);3-8,12H,9-11H2,1-2H3,(H2,27,28,29,30)
InChIKeyLBBPSHCJFUUZAF-UHFFFAOYSA-N
XLogP7.61
TPSA221.47 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.06
LogP ≤ 57.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-(2-Pyrimidin-2-ylanilino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
CID 58154969
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 58155048
N-methyl-N-[3-[[[2-[(1-oxo-2,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
CID 59606308
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 71232218
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 157142354
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 157142356
5-amino-1,3-dihydroindol-2-one;N-[3-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 157203606
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 157766906
benzenesulfonic acid;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 159057291
N-methyl-N-[3-[2-[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-2-pyridinyl]methanesulfonamide
CID 160926461
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 161818341
N-[3-[[[2-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)phenyl]methyl-methylamino]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
CID 172316438

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide (CID 159298884) is N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide is CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is LBBPSHCJFUUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3S.C22H21F3N6O3S/c1-32(36(2,34)35)21-6-4-3-5-17(21)13-28-22-20(24(25,26)27)14-29-23(31-22)30-18-9-7-16-12-19(33)10-8-15(16)11-18;1-31(35(2,33)34)20-14(4-3-7-26-20)11-27-19-18(22(23,24)25)12-28-21(30-19)29-16-6-5-13-9-17(32)10-15(13)8-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H2,28,29,30,31);3-8,12H,9-11H2,1-2H3,(H2,27,28,29,30).
What are the key properties of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide?
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 1026.06 g/mol, XLogP of 7.61, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[2-[[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 159298884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).