N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide

C157H199N65O10S — CID 157142987

IUPACN-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)n1.COCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)NC3CC3)[nH]n2)n1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(-c4ccccc4)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(N(C)CCN(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(N4CCN(C)CC4)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(NC(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(NCCN(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(Sc4ccccc4)n3)n[nH]2)cc1
InChIInChI=1S/C22H21N7OS.C22H21N7O.C21H27N9O.C21H29N9O.C20H27N9O.C19H24N8O.C16H24N8O2.C16H26N8O2/c1-14-8-10-16(11-9-14)25-20(30)13-17-12-19(29-28-17)26-21-23-15(2)24-22(27-21)31-18-6-4-3-5-7-18;1-14-8-10-17(11-9-14)25-20(30)13-18-12-19(29-28-18)26-22-24-15(2)23-21(27-22)16-6-4-3-5-7-16;1-14-4-6-16(7-5-14)24-19(31)13-17-12-18(28-27-17)25-20-22-15(2)23-21(26-20)30-10-8-29(3)9-11-30;1-14-6-8-16(9-7-14)24-19(31)13-17-12-18(28-27-17)25-20-22-15(2)23-21(26-20)30(5)11-10-29(3)4;1-13-5-7-15(8-6-13)24-18(30)12-16-11-17(28-27-16)25-20-23-14(2)22-19(26-20)21-9-10-29(3)4;1-11(2)20-18-21-13(4)22-19(25-18)24-16-9-15(26-27-16)10-17(28)23-14-7-5-12(3)6-8-14;1-9(8-26-3)17-15-18-10(2)19-16(22-15)21-13-6-12(23-24-13)7-14(25)20-11-4-5-11;1-9(2)17-14(25)7-12-6-13(24-23-12)21-16-20-11(4)19-15(22-16)18-10(3)8-26-5/h3-12H,13H2,1-2H3,(H,25,30)(H2,23,24,26,27,28,29);3-12H,13H2,1-2H3,(H,25,30)(H2,23,24,26,27,28,29);4-7,12H,8-11,13H2,1-3H3,(H,24,31)(H2,22,23,25,26,27,28);6-9,12H,10-11,13H2,1-5H3,(H,24,31)(H2,22,23,25,26,27,28);5-8,11H,9-10,12H2,1-4H3,(H,24,30)(H3,21,22,23,25,26,27,28);5-9,11H,10H2,1-4H3,(H,23,28)(H3,20,21,22,24,25,26,27);6,9,11H,4-5,7-8H2,1-3H3,(H,20,25)(H3,17,18,19,21,22,23,24);6,9-10H,7-8H2,1-5H3,(H,17,25)(H3,18,19,20,21,22,23,24)
InChIKeyAKJVKMKBIYRXBA-UHFFFAOYSA-N
MW3188.83 g/mol
LogP19.25
Rot. Bonds62

About N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide

N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide (PubChem CID 157142987) has the molecular formula C157H199N65O10S and a molecular weight of 3188.83 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide
PubChem CID157142987
Molecular FormulaC157H199N65O10S
Molecular Weight3188.83 g/mol
Exact Mass3186.68
IUPAC NameN-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)n1.COCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)NC3CC3)[nH]n2)n1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(-c4ccccc4)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(N(C)CCN(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(N4CCN(C)CC4)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(NC(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(NCCN(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(Sc4ccccc4)n3)n[nH]2)cc1
InChIInChI=1S/C22H21N7OS.C22H21N7O.C21H27N9O.C21H29N9O.C20H27N9O.C19H24N8O.C16H24N8O2.C16H26N8O2/c1-14-8-10-16(11-9-14)25-20(30)13-17-12-19(29-28-17)26-21-23-15(2)24-22(27-21)31-18-6-4-3-5-7-18;1-14-8-10-17(11-9-14)25-20(30)13-18-12-19(29-28-18)26-22-24-15(2)23-21(27-22)16-6-4-3-5-7-16;1-14-4-6-16(7-5-14)24-19(31)13-17-12-18(28-27-17)25-20-22-15(2)23-21(26-20)30-10-8-29(3)9-11-30;1-14-6-8-16(9-7-14)24-19(31)13-17-12-18(28-27-17)25-20-22-15(2)23-21(26-20)30(5)11-10-29(3)4;1-13-5-7-15(8-6-13)24-18(30)12-16-11-17(28-27-16)25-20-23-14(2)22-19(26-20)21-9-10-29(3)4;1-11(2)20-18-21-13(4)22-19(25-18)24-16-9-15(26-27-16)10-17(28)23-14-7-5-12(3)6-8-14;1-9(8-26-3)17-15-18-10(2)19-16(22-15)21-13-6-12(23-24-13)7-14(25)20-11-4-5-11;1-9(2)17-14(25)7-12-6-13(24-23-12)21-16-20-11(4)19-15(22-16)18-10(3)8-26-5/h3-12H,13H2,1-2H3,(H,25,30)(H2,23,24,26,27,28,29);3-12H,13H2,1-2H3,(H,25,30)(H2,23,24,26,27,28,29);4-7,12H,8-11,13H2,1-3H3,(H,24,31)(H2,22,23,25,26,27,28);6-9,12H,10-11,13H2,1-5H3,(H,24,31)(H2,22,23,25,26,27,28);5-8,11H,9-10,12H2,1-4H3,(H,24,30)(H3,21,22,23,25,26,27,28);5-9,11H,10H2,1-4H3,(H,23,28)(H3,20,21,22,24,25,26,27);6,9,11H,4-5,7-8H2,1-3H3,(H,20,25)(H3,17,18,19,21,22,23,24);6,9-10H,7-8H2,1-5H3,(H,17,25)(H3,18,19,20,21,22,23,24)
InChIKeyAKJVKMKBIYRXBA-UHFFFAOYSA-N
XLogP19.25
TPSA950.62 Ų
H-Bond Donors28
H-Bond Acceptors60
Rotatable Bonds62
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003188.83
LogP ≤ 519.25
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1060

Analyze N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide (CID 157142987) is N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide is COCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)n1.COCC(C)Nc1nc(C)nc(Nc2cc(CC(=O)NC3CC3)[nH]n2)n1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(-c4ccccc4)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(N(C)CCN(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(N4CCN(C)CC4)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(NC(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(NCCN(C)C)n3)n[nH]2)cc1.Cc1ccc(NC(=O)Cc2cc(Nc3nc(C)nc(Sc4ccccc4)n3)n[nH]2)cc1.
What is the InChIKey of N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide?
The InChIKey is AKJVKMKBIYRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7OS.C22H21N7O.C21H27N9O.C21H29N9O.C20H27N9O.C19H24N8O.C16H24N8O2.C16H26N8O2/c1-14-8-10-16(11-9-14)25-20(30)13-17-12-19(29-28-17)26-21-23-15(2)24-22(27-21)31-18-6-4-3-5-7-18;1-14-8-10-17(11-9-14)25-20(30)13-18-12-19(29-28-18)26-22-24-15(2)23-21(27-22)16-6-4-3-5-7-16;1-14-4-6-16(7-5-14)24-19(31)13-17-12-18(28-27-17)25-20-22-15(2)23-21(26-20)30-10-8-29(3)9-11-30;1-14-6-8-16(9-7-14)24-19(31)13-17-12-18(28-27-17)25-20-22-15(2)23-21(26-20)30(5)11-10-29(3)4;1-13-5-7-15(8-6-13)24-18(30)12-16-11-17(28-27-16)25-20-23-14(2)22-19(26-20)21-9-10-29(3)4;1-11(2)20-18-21-13(4)22-19(25-18)24-16-9-15(26-27-16)10-17(28)23-14-7-5-12(3)6-8-14;1-9(8-26-3)17-15-18-10(2)19-16(22-15)21-13-6-12(23-24-13)7-14(25)20-11-4-5-11;1-9(2)17-14(25)7-12-6-13(24-23-12)21-16-20-11(4)19-15(22-16)18-10(3)8-26-5/h3-12H,13H2,1-2H3,(H,25,30)(H2,23,24,26,27,28,29);3-12H,13H2,1-2H3,(H,25,30)(H2,23,24,26,27,28,29);4-7,12H,8-11,13H2,1-3H3,(H,24,31)(H2,22,23,25,26,27,28);6-9,12H,10-11,13H2,1-5H3,(H,24,31)(H2,22,23,25,26,27,28);5-8,11H,9-10,12H2,1-4H3,(H,24,30)(H3,21,22,23,25,26,27,28);5-9,11H,10H2,1-4H3,(H,23,28)(H3,20,21,22,24,25,26,27);6,9,11H,4-5,7-8H2,1-3H3,(H,20,25)(H3,17,18,19,21,22,23,24);6,9-10H,7-8H2,1-5H3,(H,17,25)(H3,18,19,20,21,22,23,24).
What are the key properties of N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide?
N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide has a molecular weight of 3188.83 g/mol, XLogP of 19.25, 62 rotatable bonds, 28 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 157142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).