6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C97H126F2N28O14 — CID 159065419

About 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 159065419) has the molecular formula C97H126F2N28O14 and a molecular weight of 1946.25 g/mol. Its IUPAC name is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
• PubChem CID: 159065419
• Molecular Formula: C97H126F2N28O14
• Molecular Weight: 1946.25 g/mol
• Exact Mass: 1945.00
• IUPAC Name: 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-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)N3CC(F)C3)cc(N3CCC(c4ccc(N)c(C(N)=O)n4)CC3)n2)CC1.CC[C@@H](C)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC(C)F)n1.C[C@H](CO)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@H]2CC[C@@H](C)O2)n1.C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OC[C@H]2C[C@@H]2C)n1
• InChI: InChI=1S/C25H28FN7O3.C25H33N7O4.C24H33N7O4.C23H32FN7O3/c1-2-25(7-8-25)14-36-24-30-19(23(35)33-12-16(26)13-33)11-20(31-24)32-9-5-15(6-10-32)18-4-3-17(27)21(29-18)22(28)34;1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22;1-13-9-16(13)12-35-24-29-19(23(34)27-14(2)11-32)10-20(30-24)31-7-5-15(6-8-31)18-4-3-17(25)21(28-18)22(26)33;1-4-14(3)27-22(33)18-11-19(30-23(29-18)34-12-13(2)24)31-9-7-15(8-10-31)17-6-5-16(25)20(28-17)21(26)32/h1,3-4,11,15-16H,5-10,12-14,27H2,(H2,28,34);3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31);3-4,10,13-16,32H,5-9,11-12,25H2,1-2H3,(H2,26,33)(H,27,34);5-6,11,13-15H,4,7-10,12,25H2,1-3H3,(H2,26,32)(H,27,33)/t;15-,16-,18-;13-,14+,16+;13?,14-/m.101/s1
• InChIKey: JYZLLZAMLFLEPT-RLBSZBFKSA-N
• XLogP: 7.00
• TPSA: 597.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.25
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 159065419) is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-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 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-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)N3CC(F)C3)cc(N3CCC(c4ccc(N)c(C(N)=O)n4)CC3)n2)CC1.CC[C@@H](C)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC(C)F)n1.C[C@H](CO)NC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OC[C@H]2CC[C@@H](C)O2)n1.C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OC[C@H]2C[C@@H]2C)n1.

What is the InChIKey of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

The InChIKey is JYZLLZAMLFLEPT-RLBSZBFKSA-N. The full InChI is InChI=1S/C25H28FN7O3.C25H33N7O4.C24H33N7O4.C23H32FN7O3/c1-2-25(7-8-25)14-36-24-30-19(23(35)33-12-16(26)13-33)11-20(31-24)32-9-5-15(6-10-32)18-4-3-17(27)21(29-18)22(28)34;1-15(13-33)27-24(34)20-12-21(29-25(28-20)35-14-18-6-5-16(2)36-18)32-10-7-17(8-11-32)22-19-4-3-9-26-23(19)31-30-22;1-13-9-16(13)12-35-24-29-19(23(34)27-14(2)11-32)10-20(30-24)31-7-5-15(6-8-31)18-4-3-17(25)21(28-18)22(26)33;1-4-14(3)27-22(33)18-11-19(30-23(29-18)34-12-13(2)24)31-9-7-15(8-10-31)17-6-5-16(25)20(28-17)21(26)32/h1,3-4,11,15-16H,5-10,12-14,27H2,(H2,28,34);3-4,9,12,15-18,33H,5-8,10-11,13-14H2,1-2H3,(H,27,34)(H,26,30,31);3-4,10,13-16,32H,5-9,11-12,25H2,1-2H3,(H2,26,33)(H,27,34);5-6,11,13-15H,4,7-10,12,25H2,1-3H3,(H2,26,32)(H,27,33)/t;15-,16-,18-;13-,14+,16+;13?,14-/m.101/s1.

What are the key properties of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 1946.25 g/mol, XLogP of 7.00, 33 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-2-(2-fluoropropoxy)pyrimidine-4-carboxamide;6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide;3-amino-6-[1-[2-[(1-ethynylcyclopropyl)methoxy]-6-(3-fluoroazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R,5R)-5-methyloxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 159065419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).