6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

C100H121F6N27O14 — CID 159200108

About 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (PubChem CID 159200108) has the molecular formula C100H121F6N27O14 and a molecular weight of 2039.23 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
• PubChem CID: 159200108
• Molecular Formula: C100H121F6N27O14
• Molecular Weight: 2039.23 g/mol
• Exact Mass: 2037.95
• IUPAC Name: 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
• SMILES: C[C@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1)C(F)(F)F.Cc1ccc(C2CCN(c3cc(C(=O)N(C)C(C)C)nc(OC[C@H]4CCCO4)n3)CC2)nc1C(N)=O.Cc1ccc(C2CCN(c3cc(C(=O)N4CCNC(=O)C4)nc(OCC4(C#N)CC4)n3)CC2)nc1C(N)=O.O=C(NCC(F)(F)F)c1nc(OC[C@H]2CCCO2)nc(N2CCC(C3=NCc4ncccc43)CC2)n1
• InChI: InChI=1S/C26H30N8O4.C26H36N6O4.C25H29F3N6O3.C23H26F3N7O3/c1-16-2-3-18(30-22(16)23(28)36)17-4-9-33(10-5-17)20-12-19(24(37)34-11-8-29-21(35)13-34)31-25(32-20)38-15-26(14-27)6-7-26;1-16(2)31(4)25(34)21-14-22(30-26(29-21)36-15-19-6-5-13-35-19)32-11-9-18(10-12-32)20-8-7-17(3)23(28-20)24(27)33;1-15(25(26,27)28)30-22(35)21-31-23(33-24(32-21)37-14-17-4-3-13-36-17)34-11-8-16(9-12-34)18-6-7-20-19(18)5-2-10-29-20;24-23(25,26)13-29-20(34)19-30-21(32-22(31-19)36-12-15-3-2-10-35-15)33-8-5-14(6-9-33)18-16-4-1-7-27-17(16)11-28-18/h2-3,12,17H,4-11,13,15H2,1H3,(H2,28,36)(H,29,35);7-8,14,16,18-19H,5-6,9-13,15H2,1-4H3,(H2,27,33);2,5-6,10,15-17H,3-4,7-9,11-14H2,1H3,(H,30,35);1,4,7,14-15H,2-3,5-6,8-13H2,(H,29,34)/t;19-;15-,17+;15-/m.101/s1
• InChIKey: KPEFTFWFBURPST-GIKYRARYSA-N
• XLogP: 9.32
• TPSA: 508.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2039.23
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (CID 159200108) is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is C[C@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1)C(F)(F)F.Cc1ccc(C2CCN(c3cc(C(=O)N(C)C(C)C)nc(OC[C@H]4CCCO4)n3)CC2)nc1C(N)=O.Cc1ccc(C2CCN(c3cc(C(=O)N4CCNC(=O)C4)nc(OCC4(C#N)CC4)n3)CC2)nc1C(N)=O.O=C(NCC(F)(F)F)c1nc(OC[C@H]2CCCO2)nc(N2CCC(C3=NCc4ncccc43)CC2)n1.

What is the InChIKey of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The InChIKey is KPEFTFWFBURPST-GIKYRARYSA-N. The full InChI is InChI=1S/C26H30N8O4.C26H36N6O4.C25H29F3N6O3.C23H26F3N7O3/c1-16-2-3-18(30-22(16)23(28)36)17-4-9-33(10-5-17)20-12-19(24(37)34-11-8-29-21(35)13-34)31-25(32-20)38-15-26(14-27)6-7-26;1-16(2)31(4)25(34)21-14-22(30-26(29-21)36-15-19-6-5-13-35-19)32-11-9-18(10-12-32)20-8-7-17(3)23(28-20)24(27)33;1-15(25(26,27)28)30-22(35)21-31-23(33-24(32-21)37-14-17-4-3-13-36-17)34-11-8-16(9-12-34)18-6-7-20-19(18)5-2-10-29-20;24-23(25,26)13-29-20(34)19-30-21(32-22(31-19)36-12-15-3-2-10-35-15)33-8-5-14(6-9-33)18-16-4-1-7-27-17(16)11-28-18/h2-3,12,17H,4-11,13,15H2,1H3,(H2,28,36)(H,29,35);7-8,14,16,18-19H,5-6,9-13,15H2,1-4H3,(H2,27,33);2,5-6,10,15-17H,3-4,7-9,11-14H2,1H3,(H,30,35);1,4,7,14-15H,2-3,5-6,8-13H2,(H,29,34)/t;19-;15-,17+;15-/m.101/s1.

What are the key properties of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 2039.23 g/mol, XLogP of 9.32, 29 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 159200108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).