4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine

C84H80F8N34O5 — CID 157231352

IUPAC4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(C3CCOCC3)[nH]n2)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)cc1OC.C[C@H](Nc1nc(N)nc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)n1)c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N10.C22H22F2N8O2.C21H18F2N8O2.C19H22F2N8O/c1-11(14-4-3-13(23)9-15(14)24)28-21-30-20(25)31-22(32-21)29-19-10-17(33-34-19)12-2-5-16-18(8-12)27-7-6-26-16;1-11(14-6-5-13(23)9-15(14)24)26-21-28-20(25)29-22(30-21)27-19-10-16(31-32-19)12-4-7-17(33-2)18(8-12)34-3;1-10(13-4-3-12(22)7-14(13)23)25-20-27-19(24)28-21(29-20)26-18-8-15(30-31-18)11-2-5-16-17(6-11)33-9-32-16;1-10(13-3-2-12(20)8-14(13)21)23-18-25-17(22)26-19(27-18)24-16-9-15(28-29-16)11-4-6-30-7-5-11/h2-11H,1H3,(H5,25,28,29,30,31,32,33,34);4-11H,1-3H3,(H5,25,26,27,28,29,30,31,32);2-8,10H,9H2,1H3,(H5,24,25,26,27,28,29,30,31);2-3,8-11H,4-7H2,1H3,(H5,22,23,24,25,26,27,28,29)/t11-;;;/m0.../s1
InChIKeyAUDISBNFCKDKDO-XVSRHIFFSA-N
MW1797.78 g/mol
LogP15.07
Rot. Bonds26

About 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine

4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 157231352) has the molecular formula C84H80F8N34O5 and a molecular weight of 1797.78 g/mol. Its IUPAC name is 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID157231352
Molecular FormulaC84H80F8N34O5
Molecular Weight1797.78 g/mol
Exact Mass1796.69
IUPAC Name4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(C3CCOCC3)[nH]n2)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)cc1OC.C[C@H](Nc1nc(N)nc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)n1)c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N10.C22H22F2N8O2.C21H18F2N8O2.C19H22F2N8O/c1-11(14-4-3-13(23)9-15(14)24)28-21-30-20(25)31-22(32-21)29-19-10-17(33-34-19)12-2-5-16-18(8-12)27-7-6-26-16;1-11(14-6-5-13(23)9-15(14)24)26-21-28-20(25)29-22(30-21)27-19-10-16(31-32-19)12-4-7-17(33-2)18(8-12)34-3;1-10(13-4-3-12(22)7-14(13)23)25-20-27-19(24)28-21(29-20)26-18-8-15(30-31-18)11-2-5-16-17(6-11)33-9-32-16;1-10(13-3-2-12(20)8-14(13)21)23-18-25-17(22)26-19(27-18)24-16-9-15(28-29-16)11-4-6-30-7-5-11/h2-11H,1H3,(H5,25,28,29,30,31,32,33,34);4-11H,1-3H3,(H5,25,26,27,28,29,30,31,32);2-8,10H,9H2,1H3,(H5,24,25,26,27,28,29,30,31);2-3,8-11H,4-7H2,1H3,(H5,22,23,24,25,26,27,28,29)/t11-;;;/m0.../s1
InChIKeyAUDISBNFCKDKDO-XVSRHIFFSA-N
XLogP15.07
TPSA541.65 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.78
LogP ≤ 515.07
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Analyze 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N-[1,3-benzodioxol-5-yl-[2-[(3,5-difluorophenyl)methylamino]-9-(1H-indazol-6-yl)purin-7-ium-7-yl]methyl]-9-(1H-indazol-6-yl)-7-[[[9-(1H-indazol-6-yl)purin-2-yl]-[(3-methoxyphenyl)methyl]amino]methyl]purin-7-ium-2-amine
CID 123612219
(2R)-N-[[5-[6-[6-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-4-yl]-2-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-fluorocyclohexan-1-amine
CID 139569424
4-N-(1,3-benzodioxol-5-yl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;2-(5,7-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-4-N-(4-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine
CID 158438987
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159241762
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[4-(4-methylphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159600755
N-(1H-benzimidazol-2-ylmethyl)-2-(4,4-difluoropiperidin-1-yl)-9-(3-methylphenyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(3-phenylphenyl)purin-6-amine;N-(1,3-benzodioxol-5-ylmethyl)-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine
CID 159931006
1-[5-[3-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine;2,2-difluoro-6-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5H-[1,3]dioxolo[4,5-f]benzimidazole;1-[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine;6-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 160115728
4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;6-(1,3-dimethylpyrazol-4-yl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 160132701
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 161131110
4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 161293686
4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[4-(4-methylphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161753275
2,4-dimethyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-6-propan-2-ylpyrimidine;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;6-fluoro-2-propan-2-ylquinoxaline;methane;3-methyl-5-(oxan-4-yl)-2-propan-2-ylpyrazine;1-methyl-6-propan-2-ylpyrazolo[3,4-b]pyrazine;2-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine;6-propan-2-yl-1H-pyrazolo[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;4-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 161798511

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 157231352) is 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(C3CCOCC3)[nH]n2)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)cc1OC.C[C@H](Nc1nc(N)nc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)n1)c1ccc(F)cc1F.
What is the InChIKey of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AUDISBNFCKDKDO-XVSRHIFFSA-N. The full InChI is InChI=1S/C22H18F2N10.C22H22F2N8O2.C21H18F2N8O2.C19H22F2N8O/c1-11(14-4-3-13(23)9-15(14)24)28-21-30-20(25)31-22(32-21)29-19-10-17(33-34-19)12-2-5-16-18(8-12)27-7-6-26-16;1-11(14-6-5-13(23)9-15(14)24)26-21-28-20(25)29-22(30-21)27-19-10-16(31-32-19)12-4-7-17(33-2)18(8-12)34-3;1-10(13-4-3-12(22)7-14(13)23)25-20-27-19(24)28-21(29-20)26-18-8-15(30-31-18)11-2-5-16-17(6-11)33-9-32-16;1-10(13-3-2-12(20)8-14(13)21)23-18-25-17(22)26-19(27-18)24-16-9-15(28-29-16)11-4-6-30-7-5-11/h2-11H,1H3,(H5,25,28,29,30,31,32,33,34);4-11H,1-3H3,(H5,25,26,27,28,29,30,31,32);2-8,10H,9H2,1H3,(H5,24,25,26,27,28,29,30,31);2-3,8-11H,4-7H2,1H3,(H5,22,23,24,25,26,27,28,29)/t11-;;;/m0.../s1.
What are the key properties of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?
4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1797.78 g/mol, XLogP of 15.07, 26 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157231352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).