(1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

C122H118BrN35O13S — CID 157463777

About (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

(1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 157463777) has the molecular formula C122H118BrN35O13S and a molecular weight of 2394.49 g/mol. Its IUPAC name is (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

• Compound Name: (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
• PubChem CID: 157463777
• Molecular Formula: C122H118BrN35O13S
• Molecular Weight: 2394.49 g/mol
• Exact Mass: 2391.86
• IUPAC Name: (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
• SMILES: CC(=O)c1c(C2CCN(c3nnc([C@@H](C)O)o3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(=O)c1c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[C@@H](O)c1nnc(N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)o1.[C-]#[N+]c1c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
• InChI: InChI=1S/C28H28N8O3.C26H25BrN8O2.C26H25N7O3.C21H20N6O3S.C21H20N6O2/c1-16(37)23-24(19-10-12-35(13-11-19)28-34-33-27(39-28)17(2)38)32-26-21(15-31-36(26)25(23)29)20-8-9-22(30-14-20)18-6-4-3-5-7-18;1-15(36)25-32-33-26(37-25)34-11-9-17(10-12-34)22-21(27)23(28)35-24(31-22)19(14-30-35)18-7-8-20(29-13-18)16-5-3-2-4-6-16;1-28-23-22(17-9-11-32(12-10-17)26(36)21(35)15-34)31-25-19(14-30-33(25)24(23)27)18-7-8-20(29-13-18)16-5-3-2-4-6-16;1-13(28)18-19(22)27-20(25-21(18)26-6-8-31(29,30)9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15;1-13(28)18-19(22)27-20(25-21(18)26-6-8-29-9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15/h3-9,14-15,17,19,38H,10-13,29H2,1-2H3;2-8,13-15,17,36H,9-12,28H2,1H3;2-8,13-14,17,21,34-35H,9-12,15,27H2;2-5,10-12H,6-9,22H2,1H3;2-5,10-12H,6-9,22H2,1H3/t17-;15-;21-;;/m111../s1
• InChIKey: BUFRZOKCPLFIGH-KKOIMZCJSA-N
• XLogP: 15.87
• TPSA: 636.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.49
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?

The IUPAC name of (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 157463777) is (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

What is the SMILES notation for (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?

The canonical SMILES for (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1c(C2CCN(c3nnc([C@@H](C)O)o3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(=O)c1c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[C@@H](O)c1nnc(N2CCC(c3nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c3Br)CC2)o1.[C-]#[N+]c1c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.

What is the InChIKey of (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?

The InChIKey is BUFRZOKCPLFIGH-KKOIMZCJSA-N. The full InChI is InChI=1S/C28H28N8O3.C26H25BrN8O2.C26H25N7O3.C21H20N6O3S.C21H20N6O2/c1-16(37)23-24(19-10-12-35(13-11-19)28-34-33-27(39-28)17(2)38)32-26-21(15-31-36(26)25(23)29)20-8-9-22(30-14-20)18-6-4-3-5-7-18;1-15(36)25-32-33-26(37-25)34-11-9-17(10-12-34)22-21(27)23(28)35-24(31-22)19(14-30-35)18-7-8-20(29-13-18)16-5-3-2-4-6-16;1-28-23-22(17-9-11-32(12-10-17)26(36)21(35)15-34)31-25-19(14-30-33(25)24(23)27)18-7-8-20(29-13-18)16-5-3-2-4-6-16;1-13(28)18-19(22)27-20(25-21(18)26-6-8-31(29,30)9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15;1-13(28)18-19(22)27-20(25-21(18)26-6-8-29-9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15/h3-9,14-15,17,19,38H,10-13,29H2,1-2H3;2-8,13-15,17,36H,9-12,28H2,1H3;2-8,13-14,17,21,34-35H,9-12,15,27H2;2-5,10-12H,6-9,22H2,1H3;2-5,10-12H,6-9,22H2,1H3/t17-;15-;21-;;/m111../s1.

What are the key properties of (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?

(1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 2394.49 g/mol, XLogP of 15.87, 22 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-1-[4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 157463777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).