4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide

C99H125F4N31O13 — CID 158137690

About 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 158137690) has the molecular formula C99H125F4N31O13 and a molecular weight of 2033.28 g/mol. Its IUPAC name is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide
• PubChem CID: 158137690
• Molecular Formula: C99H125F4N31O13
• Molecular Weight: 2033.28 g/mol
• Exact Mass: 2032.00
• IUPAC Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide
• SMILES: C#C[C@@H]1C[C@@H]1COc1nc(C(=O)N[C@H](C)CO)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.CCNC(=O)c1cc(N2CCC(COc3cc(-c4nnn(C)c4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.C[C@H](NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1)C(C)(F)F.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)NC2CCC2)nc(N2CCC(COc3cccnc3N)CC2)n1
• InChI: InChI=1S/C26H37N9O4.C26H30N6O3.C24H30N8O3.C23H28F4N8O3/c1-6-28-25(36)20-12-22(31-26(30-20)39-16(2)14-37-5)35-9-7-18(8-10-35)15-38-21-11-19(13-29-24(21)27)23-17(3)34(4)33-32-23;1-3-17-13-19(17)15-35-26-30-23(24(34)28-16(2)14-33)29-25(31-26)32-11-8-18(9-12-32)20-6-7-22-21(20)5-4-10-27-22;25-12-16-11-17(16)14-35-24-30-21(22(33)28-18-3-1-4-18)29-23(31-24)32-9-6-15(7-10-32)13-34-19-5-2-8-27-20(19)26;1-11(22(2,24)25)30-19(37)18-32-20(34-21(33-18)38-10-13-9-23(13,26)27)35-7-5-12(6-8-35)15-4-3-14(28)16(31-15)17(29)36/h11-13,16,18H,6-10,14-15H2,1-5H3,(H2,27,29)(H,28,36);1,4-6,10,16-19,33H,7-9,11-15H2,2H3,(H,28,34);2,5,8,15-18H,1,3-4,6-7,9-11,13-14H2,(H2,26,27)(H,28,33);3-4,11-13H,5-10,28H2,1-2H3,(H2,29,36)(H,30,37)/t16-;16-,17-,19-;16-,17+;11-,13?/m1100/s1
• InChIKey: FTNYLANQRRHJKT-JIQPUWJGSA-N
• XLogP: 8.00
• TPSA: 583.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.28
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide (CID 158137690) is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide is C#C[C@@H]1C[C@@H]1COc1nc(C(=O)N[C@H](C)CO)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.CCNC(=O)c1cc(N2CCC(COc3cc(-c4nnn(C)c4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.C[C@H](NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1)C(C)(F)F.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)NC2CCC2)nc(N2CCC(COc3cccnc3N)CC2)n1.

What is the InChIKey of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

The InChIKey is FTNYLANQRRHJKT-JIQPUWJGSA-N. The full InChI is InChI=1S/C26H37N9O4.C26H30N6O3.C24H30N8O3.C23H28F4N8O3/c1-6-28-25(36)20-12-22(31-26(30-20)39-16(2)14-37-5)35-9-7-18(8-10-35)15-38-21-11-19(13-29-24(21)27)23-17(3)34(4)33-32-23;1-3-17-13-19(17)15-35-26-30-23(24(34)28-16(2)14-33)29-25(31-26)32-11-8-18(9-12-32)20-6-7-22-21(20)5-4-10-27-22;25-12-16-11-17(16)14-35-24-30-21(22(33)28-18-3-1-4-18)29-23(31-24)32-9-6-15(7-10-32)13-34-19-5-2-8-27-20(19)26;1-11(22(2,24)25)30-19(37)18-32-20(34-21(33-18)38-10-13-9-23(13,26)27)35-7-5-12(6-8-35)15-4-3-14(28)16(31-15)17(29)36/h11-13,16,18H,6-10,14-15H2,1-5H3,(H2,27,29)(H,28,36);1,4-6,10,16-19,33H,7-9,11-15H2,2H3,(H,28,34);2,5,8,15-18H,1,3-4,6-7,9-11,13-14H2,(H2,26,27)(H,28,33);3-4,11-13H,5-10,28H2,1-2H3,(H2,29,36)(H,30,37)/t16-;16-,17-,19-;16-,17+;11-,13?/m1100/s1.

What are the key properties of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 2033.28 g/mol, XLogP of 8.00, 37 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-cyclobutyl-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(1S,2R)-2-ethynylcyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 158137690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).