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

C163H215F5N78O11 — CID 160699196

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

2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide (PubChem CID 160699196) has the molecular formula C163H215F5N78O11 and a molecular weight of 3538.04 g/mol. Its IUPAC name is 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide
• PubChem CID: 160699196
• Molecular Formula: C163H215F5N78O11
• Molecular Weight: 3538.04 g/mol
• Exact Mass: 3535.86
• IUPAC Name: 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide
• SMILES: CCNC(=O)Cc1cc(Nc2nc(C)nc(N3CCN(C)CC3)n2)n[nH]1.CN(C)CCCOc1ncnc(Nc2cc(CC(=O)NCc3ccc(F)cc3)[nH]n2)n1.CN(C)CCN(C)c1ncnc(Nc2cc(CC(=O)Nc3cccc(F)c3)[nH]n2)n1.CN1CCN(c2ncnc(Nc3cc(CC(=O)NCc4ccc(F)cc4)[nH]n3)n2)CC1.COCC(C)Nc1ncnc(Nc2cc(CC(=O)Nc3cccc(F)c3)[nH]n2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)NC3CC3)[nH]n2)nc(N2CCN(C)CC2)n1.O=C(Cc1cc(Nc2ncnc(Nc3ccccc3)n2)n[nH]1)Nc1cccc(F)c1
• InChI: InChI=1S/C20H24FN9O.C20H25FN8O2.C20H17FN8O.C19H24FN9O.C18H21FN8O2.C17H25N9O.C17H27N9O.C16H25N9O.C16H27N9O/c1-29-6-8-30(9-7-29)20-24-13-23-19(26-20)25-17-10-16(27-28-17)11-18(31)22-12-14-2-4-15(21)5-3-14;1-29(2)8-3-9-31-20-24-13-23-19(26-20)25-17-10-16(27-28-17)11-18(30)22-12-14-4-6-15(21)7-5-14;21-13-5-4-8-15(9-13)24-18(30)11-16-10-17(29-28-16)26-20-23-12-22-19(27-20)25-14-6-2-1-3-7-14;1-28(2)7-8-29(3)19-22-12-21-18(25-19)24-16-10-15(26-27-16)11-17(30)23-14-6-4-5-13(20)9-14;1-11(9-29-2)22-17-20-10-21-18(25-17)24-15-7-14(26-27-15)8-16(28)23-13-5-3-4-12(19)6-13;1-11-18-16(22-17(19-11)26-7-5-25(2)6-8-26)21-14-9-13(23-24-14)10-15(27)20-12-3-4-12;1-11(2)18-15(27)10-13-9-14(24-23-13)21-16-19-12(3)20-17(22-16)26-7-5-25(4)6-8-26;1-4-17-14(26)10-12-9-13(23-22-12)20-15-18-11(2)19-16(21-15)25-7-5-24(3)6-8-25;1-10(2)18-14(26)9-12-8-13(24-23-12)21-16-20-11(3)19-15(22-16)17-6-7-25(4)5/h2-5,10,13H,6-9,11-12H2,1H3,(H,22,31)(H2,23,24,25,26,27,28);4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,22,30)(H2,23,24,25,26,27,28);1-10,12H,11H2,(H,24,30)(H3,22,23,25,26,27,28,29);4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,30)(H2,21,22,24,25,26,27);3-7,10-11H,8-9H2,1-2H3,(H,23,28)(H3,20,21,22,24,25,26,27);9,12H,3-8,10H2,1-2H3,(H,20,27)(H2,18,19,21,22,23,24);9,11H,5-8,10H2,1-4H3,(H,18,27)(H2,19,20,21,22,23,24);9H,4-8,10H2,1-3H3,(H,17,26)(H2,18,19,20,21,22,23);8,10H,6-7,9H2,1-5H3,(H,18,26)(H3,17,19,20,21,22,23,24)
• InChIKey: RQJVSDYKLHLCEN-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 1069.75 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 71
• Rotatable Bonds: 70
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3538.04
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide (CID 160699196) is 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide is CCNC(=O)Cc1cc(Nc2nc(C)nc(N3CCN(C)CC3)n2)n[nH]1.CN(C)CCCOc1ncnc(Nc2cc(CC(=O)NCc3ccc(F)cc3)[nH]n2)n1.CN(C)CCN(C)c1ncnc(Nc2cc(CC(=O)Nc3cccc(F)c3)[nH]n2)n1.CN1CCN(c2ncnc(Nc3cc(CC(=O)NCc4ccc(F)cc4)[nH]n3)n2)CC1.COCC(C)Nc1ncnc(Nc2cc(CC(=O)Nc3cccc(F)c3)[nH]n2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)NC(C)C)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)NC3CC3)[nH]n2)nc(N2CCN(C)CC2)n1.O=C(Cc1cc(Nc2ncnc(Nc3ccccc3)n2)n[nH]1)Nc1cccc(F)c1.

What is the InChIKey of 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide?

The InChIKey is RQJVSDYKLHLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN9O.C20H25FN8O2.C20H17FN8O.C19H24FN9O.C18H21FN8O2.C17H25N9O.C17H27N9O.C16H25N9O.C16H27N9O/c1-29-6-8-30(9-7-29)20-24-13-23-19(26-20)25-17-10-16(27-28-17)11-18(31)22-12-14-2-4-15(21)5-3-14;1-29(2)8-3-9-31-20-24-13-23-19(26-20)25-17-10-16(27-28-17)11-18(30)22-12-14-4-6-15(21)7-5-14;21-13-5-4-8-15(9-13)24-18(30)11-16-10-17(29-28-16)26-20-23-12-22-19(27-20)25-14-6-2-1-3-7-14;1-28(2)7-8-29(3)19-22-12-21-18(25-19)24-16-10-15(26-27-16)11-17(30)23-14-6-4-5-13(20)9-14;1-11(9-29-2)22-17-20-10-21-18(25-17)24-15-7-14(26-27-15)8-16(28)23-13-5-3-4-12(19)6-13;1-11-18-16(22-17(19-11)26-7-5-25(2)6-8-26)21-14-9-13(23-24-14)10-15(27)20-12-3-4-12;1-11(2)18-15(27)10-13-9-14(24-23-13)21-16-19-12(3)20-17(22-16)26-7-5-25(4)6-8-26;1-4-17-14(26)10-12-9-13(23-22-12)20-15-18-11(2)19-16(21-15)25-7-5-24(3)6-8-25;1-10(2)18-14(26)9-12-8-13(24-23-12)21-16-20-11(3)19-15(22-16)17-6-7-25(4)5/h2-5,10,13H,6-9,11-12H2,1H3,(H,22,31)(H2,23,24,25,26,27,28);4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,22,30)(H2,23,24,25,26,27,28);1-10,12H,11H2,(H,24,30)(H3,22,23,25,26,27,28,29);4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,30)(H2,21,22,24,25,26,27);3-7,10-11H,8-9H2,1-2H3,(H,23,28)(H3,20,21,22,24,25,26,27);9,12H,3-8,10H2,1-2H3,(H,20,27)(H2,18,19,21,22,23,24);9,11H,5-8,10H2,1-4H3,(H,18,27)(H2,19,20,21,22,23,24);9H,4-8,10H2,1-3H3,(H,17,26)(H2,18,19,20,21,22,23);8,10H,6-7,9H2,1-5H3,(H,18,26)(H3,17,19,20,21,22,23,24).

What are the key properties of 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide?

2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide has a molecular weight of 3538.04 g/mol, XLogP of 11.37, 70 rotatable bonds, 30 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-anilino-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-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-propan-2-ylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[3-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[3-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 160699196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).