4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one

C100H127F2N31O15S — CID 161436690

About 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one (PubChem CID 161436690) has the molecular formula C100H127F2N31O15S and a molecular weight of 2073.38 g/mol. Its IUPAC name is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one
• PubChem CID: 161436690
• Molecular Formula: C100H127F2N31O15S
• Molecular Weight: 2073.38 g/mol
• Exact Mass: 2071.98
• IUPAC Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one
• SMILES: CCNC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1.CC[C@@H](C)NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1.CS(=O)(=O)COc1cnc2n[nH]c(C3CCN(c4cc(C(=O)NC56CC(C5)C6)nc(OC[C@H]5C[C@H]5C#N)n4)CC3)c2c1.C[C@H](CO)CC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OCC2CC2(F)F)n1
• InChI: InChI=1S/C28H32N8O5S.C25H35N9O4.C24H28F2N6O3.C23H32N8O3/c1-42(38,39)15-41-20-7-21-24(34-35-25(21)30-13-20)17-2-4-36(5-3-17)23-8-22(26(37)33-28-9-16(10-28)11-28)31-27(32-23)40-14-19-6-18(19)12-29;1-5-27-23(35)22-30-24(32-25(31-22)38-16(2)13-36-4)34-8-6-17(7-9-34)14-37-20-10-18(11-28-21(20)26)19-12-33(3)15-29-19;1-14(12-33)9-19(34)18-10-20(29-23(28-18)35-13-16-11-24(16,25)26)32-7-4-15(5-8-32)21-17-3-2-6-27-22(17)31-30-21;1-3-13(2)26-21(33)20-28-22(30-23(29-20)34-12-14-4-5-14)31-10-8-15(9-11-31)17-7-6-16(24)18(27-17)19(25)32/h7-8,13,16-19H,2-6,9-11,14-15H2,1H3,(H,33,37)(H,30,34,35);10-12,15-17H,5-9,13-14H2,1-4H3,(H2,26,28)(H,27,35);2-3,6,10,14-16,33H,4-5,7-9,11-13H2,1H3,(H,27,30,31);6-7,13-15H,3-5,8-12,24H2,1-2H3,(H2,25,32)(H,26,33)/t16?,18-,19+,28?;16-;14-,16?;13-/m0101/s1
• InChIKey: VYSVZOYGSZHHOO-JEIUQHNKSA-N
• XLogP: 9.06
• TPSA: 610.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 39
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2073.38
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one?

The IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one (CID 161436690) is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one.

What is the SMILES notation for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one?

The canonical SMILES for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one is CCNC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1.CC[C@@H](C)NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1.CS(=O)(=O)COc1cnc2n[nH]c(C3CCN(c4cc(C(=O)NC56CC(C5)C6)nc(OC[C@H]5C[C@H]5C#N)n4)CC3)c2c1.C[C@H](CO)CC(=O)c1cc(N2CCC(c3[nH]nc4ncccc34)CC2)nc(OCC2CC2(F)F)n1.

What is the InChIKey of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one?

The InChIKey is VYSVZOYGSZHHOO-JEIUQHNKSA-N. The full InChI is InChI=1S/C28H32N8O5S.C25H35N9O4.C24H28F2N6O3.C23H32N8O3/c1-42(38,39)15-41-20-7-21-24(34-35-25(21)30-13-20)17-2-4-36(5-3-17)23-8-22(26(37)33-28-9-16(10-28)11-28)31-27(32-23)40-14-19-6-18(19)12-29;1-5-27-23(35)22-30-24(32-25(31-22)38-16(2)13-36-4)34-8-6-17(7-9-34)14-37-20-10-18(11-28-21(20)26)19-12-33(3)15-29-19;1-14(12-33)9-19(34)18-10-20(29-23(28-18)35-13-16-11-24(16,25)26)32-7-4-15(5-8-32)21-17-3-2-6-27-22(17)31-30-21;1-3-13(2)26-21(33)20-28-22(30-23(29-20)34-12-14-4-5-14)31-10-8-15(9-11-31)17-7-6-16(24)18(27-17)19(25)32/h7-8,13,16-19H,2-6,9-11,14-15H2,1H3,(H,33,37)(H,30,34,35);10-12,15-17H,5-9,13-14H2,1-4H3,(H2,26,28)(H,27,35);2-3,6,10,14-16,33H,4-5,7-9,11-13H2,1H3,(H,27,30,31);6-7,13-15H,3-5,8-12,24H2,1-2H3,(H2,25,32)(H,26,33)/t16?,18-,19+,28?;16-;14-,16?;13-/m0101/s1.

What are the key properties of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one?

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one has a molecular weight of 2073.38 g/mol, XLogP of 9.06, 39 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-(cyclopropylmethoxy)-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-[5-(methylsulfonylmethoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrimidine-4-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 161436690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).