1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C91H98F5N39O5 — CID 163841195

About 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 163841195) has the molecular formula C91H98F5N39O5 and a molecular weight of 1913.04 g/mol. Its IUPAC name is 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
• PubChem CID: 163841195
• Molecular Formula: C91H98F5N39O5
• Molecular Weight: 1913.04 g/mol
• Exact Mass: 1911.85
• IUPAC Name: 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
• SMILES: Cc1c(-c2cc(F)ccc2F)nc(N)c2nc([C@@H]3CCCN(c4cnn(C)c4)C3)nn12.Cc1c(-c2ncco2)nc(N)c2nc(C3(c4ncccc4F)CC3)nn12.Cc1c(-c2ncco2)nc(N)c2nc([C@H]3CCCN(c4cnn(C)c4)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@@H]3CC[C@@H](C)N(c4cnn(CC(C)(C)O)c4)C3)nc12.Nc1nc(-c2ncco2)cc2nc([C@H]3CCC(F)(F)C3)nn12
• InChI: InChI=1S/C22H29N9O2.C21H22F2N8.C18H21N9O.C17H14FN7O.C13H12F2N6O/c1-13-5-6-15(10-30(13)16-9-25-29(11-16)12-22(3,4)32)18-27-19-14(2)17(20-24-7-8-33-20)26-21(23)31(19)28-18;1-12-18(16-8-14(22)5-6-17(16)23)26-19(24)21-27-20(28-31(12)21)13-4-3-7-30(10-13)15-9-25-29(2)11-15;1-11-14(18-20-5-7-28-18)22-15(19)17-23-16(24-27(11)17)12-4-3-6-26(9-12)13-8-21-25(2)10-13;1-9-11(15-21-7-8-26-15)22-13(19)14-23-16(24-25(9)14)17(4-5-17)12-10(18)3-2-6-20-12;14-13(15)2-1-7(6-13)10-19-9-5-8(11-17-3-4-22-11)18-12(16)21(9)20-10/h7-9,11,13,15,32H,5-6,10,12H2,1-4H3,(H2,23,26);5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H2,24,26);5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,19,22);2-3,6-8H,4-5H2,1H3,(H2,19,22);3-5,7H,1-2,6H2,(H2,16,18)/t13-,15-;13-;12-;;7-/m110.0/s1
• InChIKey: OMDOPJIVLVYLBT-GHDROTQXSA-N
• XLogP: 11.82
• TPSA: 545.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.04
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 163841195) is 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cc1c(-c2cc(F)ccc2F)nc(N)c2nc([C@@H]3CCCN(c4cnn(C)c4)C3)nn12.Cc1c(-c2ncco2)nc(N)c2nc(C3(c4ncccc4F)CC3)nn12.Cc1c(-c2ncco2)nc(N)c2nc([C@H]3CCCN(c4cnn(C)c4)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@@H]3CC[C@@H](C)N(c4cnn(CC(C)(C)O)c4)C3)nc12.Nc1nc(-c2ncco2)cc2nc([C@H]3CCC(F)(F)C3)nn12.

What is the InChIKey of 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The InChIKey is OMDOPJIVLVYLBT-GHDROTQXSA-N. The full InChI is InChI=1S/C22H29N9O2.C21H22F2N8.C18H21N9O.C17H14FN7O.C13H12F2N6O/c1-13-5-6-15(10-30(13)16-9-25-29(11-16)12-22(3,4)32)18-27-19-14(2)17(20-24-7-8-33-20)26-21(23)31(19)28-18;1-12-18(16-8-14(22)5-6-17(16)23)26-19(24)21-27-20(28-31(12)21)13-4-3-7-30(10-13)15-9-25-29(2)11-15;1-11-14(18-20-5-7-28-18)22-15(19)17-23-16(24-27(11)17)12-4-3-6-26(9-12)13-8-21-25(2)10-13;1-9-11(15-21-7-8-26-15)22-13(19)14-23-16(24-25(9)14)17(4-5-17)12-10(18)3-2-6-20-12;14-13(15)2-1-7(6-13)10-19-9-5-8(11-17-3-4-22-11)18-12(16)21(9)20-10/h7-9,11,13,15,32H,5-6,10,12H2,1-4H3,(H2,23,26);5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H2,24,26);5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,19,22);2-3,6-8H,4-5H2,1H3,(H2,19,22);3-5,7H,1-2,6H2,(H2,16,18)/t13-,15-;13-;12-;;7-/m110.0/s1.

What are the key properties of 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 1913.04 g/mol, XLogP of 11.82, 16 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R,5R)-5-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[(1S)-3,3-difluorocyclopentyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(2,5-difluorophenyl)-5-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;2-[1-(3-fluoro-2-pyridinyl)cyclopropyl]-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;5-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 163841195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).