(2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C101H94Br4FN27O8S — CID 159580869

About (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 159580869) has the molecular formula C101H94Br4FN27O8S and a molecular weight of 2184.72 g/mol. Its IUPAC name is (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• PubChem CID: 159580869
• Molecular Formula: C101H94Br4FN27O8S
• Molecular Weight: 2184.72 g/mol
• Exact Mass: 2179.42
• IUPAC Name: (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• SMILES: C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccsc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CNC(=O)O3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3ccncn3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C27H23BrN8O.C26H24BrN7O3.C25H24BrFN6O2.C23H23BrN6O2S/c28-23-24(18-9-12-35(13-10-18)27(37)22-8-11-30-16-32-22)34-26-20(15-33-36(26)25(23)29)19-6-7-21(31-14-19)17-4-2-1-3-5-17;27-21-22(16-8-10-33(11-9-16)25(35)20-14-30-26(36)37-20)32-24-18(13-31-34(24)23(21)28)17-6-7-19(29-12-17)15-4-2-1-3-5-15;1-14(34)25(35)32-10-8-16(9-11-32)22-21(26)23(28)33-24(31-22)19(13-30-33)17-4-7-20(29-12-17)15-2-5-18(27)6-3-15;1-13(31)23(32)29-7-4-14(5-8-29)20-19(24)21(25)30-22(28-20)17(11-27-30)15-2-3-18(26-10-15)16-6-9-33-12-16/h1-8,11,14-16,18H,9-10,12-13,29H2;1-7,12-13,16,20H,8-11,14,28H2,(H,30,36);2-7,12-14,16,34H,8-11,28H2,1H3;2-3,6,9-14,31H,4-5,7-8,25H2,1H3/t;20-;14-;13-/m.111/s1
• InChIKey: MIZOOTNDDQMVLL-IKICIIAQSA-N
• XLogP: 16.21
• TPSA: 462.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.72
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The IUPAC name of (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 159580869) is (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

What is the SMILES notation for (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The canonical SMILES for (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccsc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CNC(=O)O3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3ccncn3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The InChIKey is MIZOOTNDDQMVLL-IKICIIAQSA-N. The full InChI is InChI=1S/C27H23BrN8O.C26H24BrN7O3.C25H24BrFN6O2.C23H23BrN6O2S/c28-23-24(18-9-12-35(13-10-18)27(37)22-8-11-30-16-32-22)34-26-20(15-33-36(26)25(23)29)19-6-7-21(31-14-19)17-4-2-1-3-5-17;27-21-22(16-8-10-33(11-9-16)25(35)20-14-30-26(36)37-20)32-24-18(13-31-34(24)23(21)28)17-6-7-19(29-12-17)15-4-2-1-3-5-15;1-14(34)25(35)32-10-8-16(9-11-32)22-21(26)23(28)33-24(31-22)19(13-30-33)17-4-7-20(29-12-17)15-2-5-18(27)6-3-15;1-13(31)23(32)29-7-4-14(5-8-29)20-19(24)21(25)30-22(28-20)17(11-27-30)15-2-3-18(26-10-15)16-6-9-33-12-16/h1-8,11,14-16,18H,9-10,12-13,29H2;1-7,12-13,16,20H,8-11,14,28H2,(H,30,36);2-7,12-14,16,34H,8-11,28H2,1H3;2-3,6,9-14,31H,4-5,7-8,25H2,1H3/t;20-;14-;13-/m.111/s1.

What are the key properties of (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

(2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 2184.72 g/mol, XLogP of 16.21, 16 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-oxazolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrimidin-4-ylmethanone;(2R)-1-[4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 159580869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).