(3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide

C104H127F4N25O17 — CID 159145701

About (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide

(3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 159145701) has the molecular formula C104H127F4N25O17 and a molecular weight of 2075.31 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide
• PubChem CID: 159145701
• Molecular Formula: C104H127F4N25O17
• Molecular Weight: 2075.31 g/mol
• Exact Mass: 2073.98
• IUPAC Name: (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide
• SMILES: COCCNC(=O)c1nc(OC[C@H]2CCCO2)nc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N2CCC(F)(F)C2)cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)n1.COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OCc5ccccn5)n4)CC3)c12
• InChI: InChI=1S/C27H33F2N5O4.C26H31F2N5O4.C26H30N8O4.C25H33N7O5/c1-17(15-36-2)38-26-31-21(25(35)34-13-9-27(28,29)16-34)14-23(32-26)33-11-7-18(8-12-33)19-4-5-20-24(19)22(37-3)6-10-30-20;1-16(13-35-2)37-25-30-20(24(34)33-14-26(27,28)15-33)12-22(31-25)32-10-7-17(8-11-32)18-4-5-19-23(18)21(36-3)6-9-29-19;1-16(14-35)29-25(36)19-13-21(31-26(30-19)38-15-18-5-3-4-9-27-18)34-11-7-17(8-12-34)23-22-20(37-2)6-10-28-24(22)33-32-23;1-34-13-9-27-23(33)22-29-24(31-25(30-22)37-15-17-4-3-12-36-17)32-10-6-16(7-11-32)18-14-28-21-20(18)19(35-2)5-8-26-21/h4,6,10,14,17-18H,5,7-9,11-13,15-16H2,1-3H3;4,6,9,12,16-17H,5,7-8,10-11,13-15H2,1-3H3;3-6,9-10,13,16-17,35H,7-8,11-12,14-15H2,1-2H3,(H,29,36)(H,28,32,33);5,8,14,16-17H,3-4,6-7,9-13,15H2,1-2H3,(H,26,28)(H,27,33)/t17-;2*16-;17-/m1111/s1
• InChIKey: KIQNNRCCWJHQSE-HTHNFEODSA-N
• XLogP: 11.17
• TPSA: 467.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2075.31
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide?

The IUPAC name of (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide (CID 159145701) is (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide is COCCNC(=O)c1nc(OC[C@H]2CCCO2)nc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N2CCC(F)(F)C2)cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)n1.COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OCc5ccccn5)n4)CC3)c12.

What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide?

The InChIKey is KIQNNRCCWJHQSE-HTHNFEODSA-N. The full InChI is InChI=1S/C27H33F2N5O4.C26H31F2N5O4.C26H30N8O4.C25H33N7O5/c1-17(15-36-2)38-26-31-21(25(35)34-13-9-27(28,29)16-34)14-23(32-26)33-11-7-18(8-12-33)19-4-5-20-24(19)22(37-3)6-10-30-20;1-16(13-35-2)37-25-30-20(24(34)33-14-26(27,28)15-33)12-22(31-25)32-10-7-17(8-11-32)18-4-5-19-23(18)21(36-3)6-9-29-19;1-16(14-35)29-25(36)19-13-21(31-26(30-19)38-15-18-5-3-4-9-27-18)34-11-7-17(8-12-34)23-22-20(37-2)6-10-28-24(22)33-32-23;1-34-13-9-27-23(33)22-29-24(31-25(30-22)37-15-17-4-3-12-36-17)32-10-6-16(7-11-32)18-14-28-21-20(18)19(35-2)5-8-26-21/h4,6,10,14,17-18H,5,7-9,11-13,15-16H2,1-3H3;4,6,9,12,16-17H,5,7-8,10-11,13-15H2,1-3H3;3-6,9-10,13,16-17,35H,7-8,11-12,14-15H2,1-2H3,(H,29,36)(H,28,32,33);5,8,14,16-17H,3-4,6-7,9-13,15H2,1-2H3,(H,26,28)(H,27,33)/t17-;2*16-;17-/m1111/s1.

What are the key properties of (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide?

(3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide has a molecular weight of 2075.31 g/mol, XLogP of 11.17, 35 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluoroazetidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]methanone;N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-2-ylmethoxy)pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 159145701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).