N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide

C36H32F6N8O4S — CID 172600640

IUPACN-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Nc3cc4c(-c5ccc6c(cnn6CC(O)(C(F)(F)F)C(F)(F)F)c5C)nccc4cn3)cc2)nc1N1CCOCC1
InChIInChI=1S/C36H32F6N8O4S/c1-21-3-10-30(47-33(21)49-13-15-54-16-14-49)48-55(52,53)25-6-4-24(5-7-25)46-31-17-27-23(18-44-31)11-12-43-32(27)26-8-9-29-28(22(26)2)19-45-50(29)20-34(51,35(37,38)39)36(40,41)42/h3-12,17-19,51H,13-16,20H2,1-2H3,(H,44,46)(H,47,48)
InChIKeyNRGIDJUFPDTNII-UHFFFAOYSA-N
MW786.76 g/mol
LogP6.90
Rot. Bonds9

About N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide

N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide (PubChem CID 172600640) has the molecular formula C36H32F6N8O4S and a molecular weight of 786.76 g/mol. Its IUPAC name is N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
PubChem CID172600640
Molecular FormulaC36H32F6N8O4S
Molecular Weight786.76 g/mol
Exact Mass786.22
IUPAC NameN-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Nc3cc4c(-c5ccc6c(cnn6CC(O)(C(F)(F)F)C(F)(F)F)c5C)nccc4cn3)cc2)nc1N1CCOCC1
InChIInChI=1S/C36H32F6N8O4S/c1-21-3-10-30(47-33(21)49-13-15-54-16-14-49)48-55(52,53)25-6-4-24(5-7-25)46-31-17-27-23(18-44-31)11-12-43-32(27)26-8-9-29-28(22(26)2)19-45-50(29)20-34(51,35(37,38)39)36(40,41)42/h3-12,17-19,51H,13-16,20H2,1-2H3,(H,44,46)(H,47,48)
InChIKeyNRGIDJUFPDTNII-UHFFFAOYSA-N
XLogP6.90
TPSA147.39 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.76
LogP ≤ 56.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
CID 172600752
N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
CID 172600464
2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 172600097
N-(4,6-difluoropyrimidin-2-yl)-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
CID 172600868
N-(4-fluoropyrimidin-2-yl)-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
CID 172601049
1,1,1,3,3,3-hexafluoro-2-[[4-methyl-5-[7-[4-(pyrimidin-2-ylamino)sulfanylanilino]-2,6-naphthyridin-1-yl]indazol-1-yl]methyl]propan-2-ol
CID 172600625
2-[[5-[7-(4-anilinosulfanylanilino)-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 172600368
N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 172600371
1,1,1,3,3,3-hexafluoro-2-[[5-[7-[4-(3-methoxyanilino)sulfanylanilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]propan-2-ol
CID 172601043
1-[5-[7-[4-[hydroxy(piperidin-1-ylsulfanyl)amino]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]-2-methylpropan-2-ol
CID 172600843
2-methyl-1-[4-methyl-5-[7-[4-[(5-methyl-1,2-oxazol-4-yl)sulfanylamino]anilino]-2,6-naphthyridin-1-yl]indazol-1-yl]propan-2-ol
CID 172600629
5-(2,4-dimethylindazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600926

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?
The IUPAC name of N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide (CID 172600640) is N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Nc3cc4c(-c5ccc6c(cnn6CC(O)(C(F)(F)F)C(F)(F)F)c5C)nccc4cn3)cc2)nc1N1CCOCC1.
What is the InChIKey of N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?
The InChIKey is NRGIDJUFPDTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F6N8O4S/c1-21-3-10-30(47-33(21)49-13-15-54-16-14-49)48-55(52,53)25-6-4-24(5-7-25)46-31-17-27-23(18-44-31)11-12-43-32(27)26-8-9-29-28(22(26)2)19-45-50(29)20-34(51,35(37,38)39)36(40,41)42/h3-12,17-19,51H,13-16,20H2,1-2H3,(H,44,46)(H,47,48).
What are the key properties of N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?
N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide has a molecular weight of 786.76 g/mol, XLogP of 6.90, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 172600640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).