4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one

C102H124F8N30O14 — CID 158090223

About 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one (PubChem CID 158090223) has the molecular formula C102H124F8N30O14 and a molecular weight of 2146.29 g/mol. Its IUPAC name is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one
• PubChem CID: 158090223
• Molecular Formula: C102H124F8N30O14
• Molecular Weight: 2146.29 g/mol
• Exact Mass: 2144.98
• IUPAC Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one
• SMILES: C#CC1(COc2nc(C(=O)NCC(C)(F)F)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.C[C@@H](NC(=O)c1nc(OCC2CC2(C)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1)C(C)(C)O.Cc1ccc(C2CCN(c3nc(OC[C@@H]4CC4(F)F)nc(C(=O)CCC(F)(F)F)n3)CC2)nc1C(N)=O.O=C1CN(C(=O)c2cc(N3CCC(C4=NCc5ncccc54)CC3)nc(OC[C@H]3CCCO3)n2)CCN1
• InChI: InChI=1S/C28H33F2N9O3.C26H31N7O4.C25H35FN8O4.C23H25F5N6O3/c1-4-28(7-8-28)16-42-26-36-23(24(40)33-15-27(2,29)30)35-25(37-26)39-9-5-18(6-10-39)14-41-21-11-19(12-32-22(21)31)20-13-38(3)17-34-20;34-23-15-33(11-8-28-23)25(35)20-13-22(31-26(30-20)37-16-18-3-2-12-36-18)32-9-5-17(6-10-32)24-19-4-1-7-27-21(19)14-29-24;1-13(24(2,3)37)29-21(36)20-31-22(33-23(32-20)38-12-15-11-25(15,4)26)34-9-7-14(8-10-34)17-6-5-16(27)18(30-17)19(28)35;1-12-2-3-15(30-17(12)18(29)36)13-5-8-34(9-6-13)20-31-19(16(35)4-7-23(26,27)28)32-21(33-20)37-11-14-10-22(14,24)25/h1,11-13,17-18H,5-10,14-16H2,2-3H3,(H2,31,32)(H,33,40);1,4,7,13,17-18H,2-3,5-6,8-12,14-16H2,(H,28,34);5-6,13-15,37H,7-12,27H2,1-4H3,(H2,28,35)(H,29,36);2-3,13-14H,4-11H2,1H3,(H2,29,36)/t;18-;13-,15?,25?;14-/m.110/s1
• InChIKey: FNZYQNCHZAUSEG-VQYGDYBNSA-N
• XLogP: 8.91
• TPSA: 575.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.29
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one?

The IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one (CID 158090223) is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one.

What is the SMILES notation for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one?

The canonical SMILES for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one is C#CC1(COc2nc(C(=O)NCC(C)(F)F)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.C[C@@H](NC(=O)c1nc(OCC2CC2(C)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1)C(C)(C)O.Cc1ccc(C2CCN(c3nc(OC[C@@H]4CC4(F)F)nc(C(=O)CCC(F)(F)F)n3)CC2)nc1C(N)=O.O=C1CN(C(=O)c2cc(N3CCC(C4=NCc5ncccc54)CC3)nc(OC[C@H]3CCCO3)n2)CCN1.

What is the InChIKey of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one?

The InChIKey is FNZYQNCHZAUSEG-VQYGDYBNSA-N. The full InChI is InChI=1S/C28H33F2N9O3.C26H31N7O4.C25H35FN8O4.C23H25F5N6O3/c1-4-28(7-8-28)16-42-26-36-23(24(40)33-15-27(2,29)30)35-25(37-26)39-9-5-18(6-10-39)14-41-21-11-19(12-32-22(21)31)20-13-38(3)17-34-20;34-23-15-33(11-8-28-23)25(35)20-13-22(31-26(30-20)37-16-18-3-2-12-36-18)32-9-5-17(6-10-32)24-19-4-1-7-27-21(19)14-29-24;1-13(24(2,3)37)29-21(36)20-31-22(33-23(32-20)38-12-15-11-25(15,4)26)34-9-7-14(8-10-34)17-6-5-16(27)18(30-17)19(28)35;1-12-2-3-15(30-17(12)18(29)36)13-5-8-34(9-6-13)20-31-19(16(35)4-7-23(26,27)28)32-21(33-20)37-11-14-10-22(14,24)25/h1,11-13,17-18H,5-10,14-16H2,2-3H3,(H2,31,32)(H,33,40);1,4,7,13,17-18H,2-3,5-6,8-12,14-16H2,(H,28,34);5-6,13-15,37H,7-12,27H2,1-4H3,(H2,28,35)(H,29,36);2-3,13-14H,4-11H2,1H3,(H2,29,36)/t;18-;13-,15?,25?;14-/m.110/s1.

What are the key properties of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one?

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one has a molecular weight of 2146.29 g/mol, XLogP of 8.91, 35 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(2,2-difluoropropyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[1-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 158090223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).