N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide

C₉₈H₁₂₅F₅N₂₄O₁₃ — CID 159837293

About N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide

N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 159837293) has the molecular formula C₉₈H₁₂₅F₅N₂₄O₁₃ and a molecular weight of 1942.22 g/mol. Its IUPAC name is N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide
• PubChem CID: 159837293
• Molecular Formula: C₉₈H₁₂₅F₅N₂₄O₁₃
• Molecular Weight: 1942.22 g/mol
• Exact Mass: 1940.98
• IUPAC Name: N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide
• SMILES: CCC(=O)c1cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)nc(O[C@H](C)COC)n1.CC[C@@H](NC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(F)(F)F.COC[C@@H](C)Oc1nc(C(=O)NC2CCC2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@@H](C)C(C)(F)F)nc(N2CCC(C3=CCc4ncccc43)CC2)n1
• InChI: InChI=1S/C25H32F2N6O3.C25H32N6O3.C25H32N4O4.C23H29F3N8O3/c1-15(14-35-4)36-24-31-21(22(34)29-16(2)25(3,26)27)30-23(32-24)33-12-9-17(10-13-33)18-7-8-20-19(18)6-5-11-28-20;1-16(15-33-2)34-25-29-22(23(32)27-18-5-3-6-18)28-24(30-25)31-13-10-17(11-14-31)19-8-9-21-20(19)7-4-12-26-21;1-5-21(30)20-14-23(28-25(27-20)33-16(2)15-31-3)29-12-9-17(10-13-29)18-6-7-19-24(18)22(32-4)8-11-26-19;1-4-16(23(24,25)26)28-20(35)19-29-21(31-22(30-19)37-13(2)12-36-3)34-10-7-14(8-11-34)17-15-6-5-9-27-18(15)33-32-17/h5-7,11,15-17H,8-10,12-14H2,1-4H3,(H,29,34);4,7-8,12,16-18H,3,5-6,9-11,13-15H2,1-2H3,(H,27,32);6,8,11,14,16-17H,5,7,9-10,12-13,15H2,1-4H3;5-6,9,13-14,16H,4,7-8,10-12H2,1-3H3,(H,28,35)(H,27,32,33)/t15-,16+;2*16-;13-,16-/m1111/s1
• InChIKey: NOFYGLCSVBWIFJ-WWQUPJFFSA-N
• XLogP: 12.88
• TPSA: 422.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.22
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?

The IUPAC name of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide (CID 159837293) is N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide is CCC(=O)c1cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)nc(O[C@H](C)COC)n1.CC[C@@H](NC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(F)(F)F.COC[C@@H](C)Oc1nc(C(=O)NC2CCC2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@@H](C)C(C)(F)F)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.

What is the InChIKey of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?

The InChIKey is NOFYGLCSVBWIFJ-WWQUPJFFSA-N. The full InChI is InChI=1S/C25H32F2N6O3.C25H32N6O3.C25H32N4O4.C23H29F3N8O3/c1-15(14-35-4)36-24-31-21(22(34)29-16(2)25(3,26)27)30-23(32-24)33-12-9-17(10-13-33)18-7-8-20-19(18)6-5-11-28-20;1-16(15-33-2)34-25-29-22(23(32)27-18-5-3-6-18)28-24(30-25)31-13-10-17(11-14-31)19-8-9-21-20(19)7-4-12-26-21;1-5-21(30)20-14-23(28-25(27-20)33-16(2)15-31-3)29-12-9-17(10-13-29)18-6-7-19-24(18)22(32-4)8-11-26-19;1-4-16(23(24,25)26)28-20(35)19-29-21(31-22(30-19)37-13(2)12-36-3)34-10-7-14(8-11-34)17-15-6-5-9-27-18(15)33-32-17/h5-7,11,15-17H,8-10,12-14H2,1-4H3,(H,29,34);4,7-8,12,16-18H,3,5-6,9-11,13-15H2,1-2H3,(H,27,32);6,8,11,14,16-17H,5,7,9-10,12-13,15H2,1-4H3;5-6,9,13-14,16H,4,7-8,10-12H2,1-3H3,(H,28,35)(H,27,32,33)/t15-,16+;2*16-;13-,16-/m1111/s1.

What are the key properties of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?

N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 1942.22 g/mol, XLogP of 12.88, 35 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 159837293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159837293 — identifiers, structure, computed properties (public domain)

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