4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile

C83H98F7N25O9 — CID 161408277

About 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 161408277) has the molecular formula C83H98F7N25O9 and a molecular weight of 1722.85 g/mol. Its IUPAC name is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
• PubChem CID: 161408277
• Molecular Formula: C83H98F7N25O9
• Molecular Weight: 1722.85 g/mol
• Exact Mass: 1721.79
• IUPAC Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
• SMILES: C.C[C@H](CC(=O)c1nc(OCC2(C#N)CC2)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1)C(C)(F)F.Cc1ncc(-c2cn(C)cn2)cc1OCC1CCN(c2nc(OCC3(C#N)CC3)nc(C(=O)CC34CC5CC53C4)n2)CC1.NC(=O)c1nc(C2CCN(c3nc(OC[C@H]4CC4(F)F)nc(C(=O)NCC(F)(F)F)n3)CC2)ccc1N
• InChI: InChI=1S/C32H36N8O3.C29H35F2N9O3.C21H23F5N8O3.CH4/c1-20-26(9-22(13-34-20)24-14-39(2)19-35-24)42-15-21-3-7-40(8-4-21)28-36-27(25(41)12-31-10-23-11-32(23,31)16-31)37-29(38-28)43-18-30(17-33)5-6-30;1-18(28(2,30)31)10-22(41)25-36-26(38-27(37-25)43-16-29(15-32)6-7-29)40-8-4-19(5-9-40)14-42-23-11-20(12-34-24(23)33)21-13-39(3)17-35-21;22-20(23)7-11(20)8-37-19-32-16(17(36)29-9-21(24,25)26)31-18(33-19)34-5-3-10(4-6-34)13-2-1-12(27)14(30-13)15(28)35;/h9,13-14,19,21,23H,3-8,10-12,15-16,18H2,1-2H3;11-13,17-19H,4-10,14,16H2,1-3H3,(H2,33,34);1-2,10-11H,3-9,27H2,(H2,28,35)(H,29,36);1H4/t;18-;11-;/m.11./s1
• InChIKey: VVDFDIKFJXJFSG-OSFXWNRCSA-N
• XLogP: 10.71
• TPSA: 452.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.85
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?

The IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile (CID 161408277) is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile is C.C[C@H](CC(=O)c1nc(OCC2(C#N)CC2)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1)C(C)(F)F.Cc1ncc(-c2cn(C)cn2)cc1OCC1CCN(c2nc(OCC3(C#N)CC3)nc(C(=O)CC34CC5CC53C4)n2)CC1.NC(=O)c1nc(C2CCN(c3nc(OC[C@H]4CC4(F)F)nc(C(=O)NCC(F)(F)F)n3)CC2)ccc1N.

What is the InChIKey of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?

The InChIKey is VVDFDIKFJXJFSG-OSFXWNRCSA-N. The full InChI is InChI=1S/C32H36N8O3.C29H35F2N9O3.C21H23F5N8O3.CH4/c1-20-26(9-22(13-34-20)24-14-39(2)19-35-24)42-15-21-3-7-40(8-4-21)28-36-27(25(41)12-31-10-23-11-32(23,31)16-31)37-29(38-28)43-18-30(17-33)5-6-30;1-18(28(2,30)31)10-22(41)25-36-26(38-27(37-25)43-16-29(15-32)6-7-29)40-8-4-19(5-9-40)14-42-23-11-20(12-34-24(23)33)21-13-39(3)17-35-21;22-20(23)7-11(20)8-37-19-32-16(17(36)29-9-21(24,25)26)31-18(33-19)34-5-3-10(4-6-34)13-2-1-12(27)14(30-13)15(28)35;/h9,13-14,19,21,23H,3-8,10-12,15-16,18H2,1-2H3;11-13,17-19H,4-10,14,16H2,1-3H3,(H2,33,34);1-2,10-11H,3-9,27H2,(H2,28,35)(H,29,36);1H4/t;18-;11-;/m.11./s1.

What are the key properties of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 1722.85 g/mol, XLogP of 10.71, 31 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;1-[[4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(3R)-4,4-difluoro-3-methylpentanoyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;methane;1-[[4-[4-[[2-methyl-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[2-(3-tricyclo[3.1.0.01,3]hexanyl)acetyl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 161408277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).