[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C75H91F2N21O10S — CID 159442373

About [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 159442373) has the molecular formula C75H91F2N21O10S and a molecular weight of 1516.75 g/mol. Its IUPAC name is [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
• PubChem CID: 159442373
• Molecular Formula: C75H91F2N21O10S
• Molecular Weight: 1516.75 g/mol
• Exact Mass: 1515.69
• IUPAC Name: [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
• SMILES: C#CC1(COc2nc(C(=O)N3CCC(F)C3)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)CC1.CC(CS(C)(=O)=O)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@H]2CCCO2)n1.C[C@H](CO)NC(=O)c1nc(OCC2CC2(C)F)nc(N2CCC(C3=NCc4ncccc43)CC2)n1
• InChI: InChI=1S/C26H28FN7O2.C25H33N7O5S.C24H30FN7O3/c1-2-26(8-9-26)16-36-25-29-20(24(35)34-13-7-18(27)15-34)14-21(30-25)33-11-5-17(6-12-33)22-19-4-3-10-28-23(19)32-31-22;1-16(15-38(2,34)35)27-24(33)20-13-21(29-25(28-20)37-14-18-5-4-12-36-18)32-10-7-17(8-11-32)22-19-6-3-9-26-23(19)31-30-22;1-14(12-33)28-21(34)20-29-22(31-23(30-20)35-13-16-10-24(16,2)25)32-8-5-15(6-9-32)19-17-4-3-7-26-18(17)11-27-19/h1,3-4,10,14,17-18H,5-9,11-13,15-16H2,(H,28,31,32);3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,27,33)(H,26,30,31);3-4,7,14-16,33H,5-6,8-13H2,1-2H3,(H,28,34)/t;16?,18-;14-,16?,24?/m.11/s1
• InChIKey: LSIHAAGMXQQFMK-HCZLZISDSA-N
• XLogP: 6.68
• TPSA: 378.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.75
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

The IUPAC name of [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 159442373) is [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

The canonical SMILES for [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is C#CC1(COc2nc(C(=O)N3CCC(F)C3)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)CC1.CC(CS(C)(=O)=O)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@H]2CCCO2)n1.C[C@H](CO)NC(=O)c1nc(OCC2CC2(C)F)nc(N2CCC(C3=NCc4ncccc43)CC2)n1.

What is the InChIKey of [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

The InChIKey is LSIHAAGMXQQFMK-HCZLZISDSA-N. The full InChI is InChI=1S/C26H28FN7O2.C25H33N7O5S.C24H30FN7O3/c1-2-26(8-9-26)16-36-25-29-20(24(35)34-13-7-18(27)15-34)14-21(30-25)33-11-5-17(6-12-33)22-19-4-3-10-28-23(19)32-31-22;1-16(15-38(2,34)35)27-24(33)20-13-21(29-25(28-20)37-14-18-5-4-12-36-18)32-10-7-17(8-11-32)22-19-6-3-9-26-23(19)31-30-22;1-14(12-33)28-21(34)20-29-22(31-23(30-20)35-13-16-10-24(16,2)25)32-8-5-15(6-9-32)19-17-4-3-7-26-18(17)11-27-19/h1,3-4,10,14,17-18H,5-9,11-13,15-16H2,(H,28,31,32);3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,27,33)(H,26,30,31);3-4,7,14-16,33H,5-6,8-13H2,1-2H3,(H,28,34)/t;16?,18-;14-,16?,24?/m.11/s1.

What are the key properties of [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 1516.75 g/mol, XLogP of 6.68, 23 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone;4-[(2-fluoro-2-methylcyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(1-methylsulfonylpropan-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 159442373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).