4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

C102H123F10N33O12 — CID 161099771

About 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (PubChem CID 161099771) has the molecular formula C102H123F10N33O12 and a molecular weight of 2193.30 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
• PubChem CID: 161099771
• Molecular Formula: C102H123F10N33O12
• Molecular Weight: 2193.30 g/mol
• Exact Mass: 2191.99
• IUPAC Name: 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
• SMILES: C#CC1(COc2nc(C(=O)N3CC(F)(F)C3)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.C#CC1(COc2nc(C(=O)NCC(C)(C)C)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.CC1(F)CC1COc1nc(C(=O)NCC(F)(F)F)nc(N2CCC(COc3cncnc3N)CC2)n1.Nc1ccncc1OCC1CCN(c2nc(OCC3CC3(F)F)nc(C(=O)NC3CC(F)(F)C3)n2)CC1
• InChI: InChI=1S/C30H39N9O3.C28H31F2N9O3.C23H27F4N7O3.C21H26F4N8O3/c1-6-30(9-10-30)18-42-28-36-25(26(40)33-17-29(2,3)4)35-27(37-28)39-11-7-20(8-12-39)16-41-23-13-21(14-32-24(23)31)22-15-38(5)19-34-22;1-3-27(6-7-27)16-42-26-35-23(24(40)39-14-28(29,30)15-39)34-25(36-26)38-8-4-18(5-9-38)13-41-21-10-19(11-32-22(21)31)20-12-37(2)17-33-20;24-22(25)8-15(9-22)30-19(35)18-31-20(33-21(32-18)37-12-14-7-23(14,26)27)34-5-2-13(3-6-34)11-36-17-10-29-4-1-16(17)28;1-20(22)6-13(20)9-36-19-31-16(17(34)28-10-21(23,24)25)30-18(32-19)33-4-2-12(3-5-33)8-35-14-7-27-11-29-15(14)26/h1,13-15,19-20H,7-12,16-18H2,2-5H3,(H2,31,32)(H,33,40);1,10-12,17-18H,4-9,13-16H2,2H3,(H2,31,32);1,4,10,13-15H,2-3,5-9,11-12H2,(H2,28,29)(H,30,35);7,11-13H,2-6,8-10H2,1H3,(H,28,34)(H2,26,27,29)
• InChIKey: UIGOUMDYLTZKIZ-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 553.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 37
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.30
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (CID 161099771) is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is C#CC1(COc2nc(C(=O)N3CC(F)(F)C3)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.C#CC1(COc2nc(C(=O)NCC(C)(C)C)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.CC1(F)CC1COc1nc(C(=O)NCC(F)(F)F)nc(N2CCC(COc3cncnc3N)CC2)n1.Nc1ccncc1OCC1CCN(c2nc(OCC3CC3(F)F)nc(C(=O)NC3CC(F)(F)C3)n2)CC1.

What is the InChIKey of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The InChIKey is UIGOUMDYLTZKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N9O3.C28H31F2N9O3.C23H27F4N7O3.C21H26F4N8O3/c1-6-30(9-10-30)18-42-28-36-25(26(40)33-17-29(2,3)4)35-27(37-28)39-11-7-20(8-12-39)16-41-23-13-21(14-32-24(23)31)22-15-38(5)19-34-22;1-3-27(6-7-27)16-42-26-35-23(24(40)39-14-28(29,30)15-39)34-25(36-26)38-8-4-18(5-9-38)13-41-21-10-19(11-32-22(21)31)20-12-37(2)17-33-20;24-22(25)8-15(9-22)30-19(35)18-31-20(33-21(32-18)37-12-14-7-23(14,26)27)34-5-2-13(3-6-34)11-36-17-10-29-4-1-16(17)28;1-20(22)6-13(20)9-36-19-31-16(17(34)28-10-21(23,24)25)30-18(32-19)33-4-2-12(3-5-33)8-35-14-7-27-11-29-15(14)26/h1,13-15,19-20H,7-12,16-18H2,2-5H3,(H2,31,32)(H,33,40);1,10-12,17-18H,4-9,13-16H2,2H3,(H2,31,32);1,4,10,13-15H,2-3,5-9,11-12H2,(H2,28,29)(H,30,35);7,11-13H,2-6,8-10H2,1H3,(H,28,34)(H2,26,27,29).

What are the key properties of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 2193.30 g/mol, XLogP of 10.20, 37 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-dimethylpropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(3,3-difluorocyclobutyl)-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 161099771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).