6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide

C126H153F5N34O15 — CID 158664510

About 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide (PubChem CID 158664510) has the molecular formula C126H153F5N34O15 and a molecular weight of 2478.82 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide
• PubChem CID: 158664510
• Molecular Formula: C126H153F5N34O15
• Molecular Weight: 2478.82 g/mol
• Exact Mass: 2477.22
• IUPAC Name: 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide
• SMILES: C#CC1(COc2nc(C(=O)N3CC[C@@H](OC)C3)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)CC1.CC1(F)CC(NC(=O)c2cc(N3CCC(COc4cncnc4N)CC3)nc(OCC3(C#N)CC3)n2)C1.CCCCC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OCC2(C#N)CC2)n1.Cc1ccc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)CCC(F)(F)F)n3)CC2)nc1C(N)=O.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)CC2CCC2)cc(N2CCC(COc3cccnc3N)CC2)n1
• InChI: InChI=1S/C27H31N7O3.C26H32N6O3.C25H31FN8O3.C24H28F4N6O3.C24H31N7O3/c1-3-27(9-10-27)17-37-26-29-21(25(35)34-14-8-19(16-34)36-2)15-22(30-26)33-12-6-18(7-13-33)23-20-5-4-11-28-24(20)32-31-23;27-14-19-12-20(19)16-35-26-30-21(22(33)11-17-3-1-4-17)13-24(31-26)32-9-6-18(7-10-32)15-34-23-5-2-8-29-25(23)28;1-24(26)9-17(10-24)31-22(35)18-8-20(33-23(32-18)37-14-25(13-27)4-5-25)34-6-2-16(3-7-34)12-36-19-11-29-15-30-21(19)28;1-13-2-3-17(30-19(13)20(29)36)15-5-8-34(9-6-15)22-31-21(18(35)4-7-24(26,27)28)32-23(33-22)37-12-14-10-16(25)11-14;1-2-3-4-19(32)18-11-21(30-23(29-18)34-15-24(14-25)7-8-24)31-9-5-17(6-10-31)13-33-20-12-27-16-28-22(20)26/h1,4-5,11,15,18-19H,6-10,12-14,16-17H2,2H3,(H,28,31,32);2,5,8,13,17-20H,1,3-4,6-7,9-12,15-16H2,(H2,28,29);8,11,15-17H,2-7,9-10,12,14H2,1H3,(H,31,35)(H2,28,29,30);2-3,14-16H,4-12H2,1H3,(H2,29,36);11-12,16-17H,2-10,13,15H2,1H3,(H2,26,27,28)/t19-;19-,20+;;;/m10.../s1
• InChIKey: IDEHPVPCKPDABD-ZVVWOUDQSA-N
• XLogP: 15.80
• TPSA: 653.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 46
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.82
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide?

The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide (CID 158664510) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide.

What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide?

The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide is C#CC1(COc2nc(C(=O)N3CC[C@@H](OC)C3)cc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)CC1.CC1(F)CC(NC(=O)c2cc(N3CCC(COc4cncnc4N)CC3)nc(OCC3(C#N)CC3)n2)C1.CCCCC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OCC2(C#N)CC2)n1.Cc1ccc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)CCC(F)(F)F)n3)CC2)nc1C(N)=O.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)CC2CCC2)cc(N2CCC(COc3cccnc3N)CC2)n1.

What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide?

The InChIKey is IDEHPVPCKPDABD-ZVVWOUDQSA-N. The full InChI is InChI=1S/C27H31N7O3.C26H32N6O3.C25H31FN8O3.C24H28F4N6O3.C24H31N7O3/c1-3-27(9-10-27)17-37-26-29-21(25(35)34-14-8-19(16-34)36-2)15-22(30-26)33-12-6-18(7-13-33)23-20-5-4-11-28-24(20)32-31-23;27-14-19-12-20(19)16-35-26-30-21(22(33)11-17-3-1-4-17)13-24(31-26)32-9-6-18(7-10-32)15-34-23-5-2-8-29-25(23)28;1-24(26)9-17(10-24)31-22(35)18-8-20(33-23(32-18)37-14-25(13-27)4-5-25)34-6-2-16(3-7-34)12-36-19-11-29-15-30-21(19)28;1-13-2-3-17(30-19(13)20(29)36)15-5-8-34(9-6-15)22-31-21(18(35)4-7-24(26,27)28)32-23(33-22)37-12-14-10-16(25)11-14;1-2-3-4-19(32)18-11-21(30-23(29-18)34-15-24(14-25)7-8-24)31-9-5-17(6-10-31)13-33-20-12-27-16-28-22(20)26/h1,4-5,11,15,18-19H,6-10,12-14,16-17H2,2H3,(H,28,31,32);2,5,8,13,17-20H,1,3-4,6-7,9-12,15-16H2,(H2,28,29);8,11,15-17H,2-7,9-10,12,14H2,1H3,(H,31,35)(H2,28,29,30);2-3,14-16H,4-12H2,1H3,(H2,29,36);11-12,16-17H,2-10,13,15H2,1H3,(H2,26,27,28)/t19-;19-,20+;;;/m10.../s1.

What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide?

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 2478.82 g/mol, XLogP of 15.80, 46 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(3-fluoro-3-methylcyclobutyl)pyrimidine-4-carboxamide;1-[[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-pentanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;[2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone;6-[1-[4-[(3-fluorocyclobutyl)methoxy]-6-(4,4,4-trifluorobutanoyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 158664510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).