(2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C122H125Br3F2N34O12 — CID 159826401

About (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 159826401) has the molecular formula C122H125Br3F2N34O12 and a molecular weight of 2537.28 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• PubChem CID: 159826401
• Molecular Formula: C122H125Br3F2N34O12
• Molecular Weight: 2537.28 g/mol
• Exact Mass: 2532.77
• IUPAC Name: (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• SMILES: CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-n4cccn4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5F)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-n5cccn5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cc2c1
• InChI: InChI=1S/C27H27FN6O3.C25H24BrFN6O2.C24H25BrN6O2.C24H26N8O3.C22H23BrN8O2/c1-15(35)23-24(17-9-11-33(12-10-17)27(37)16(2)36)32-26-20(14-31-34(26)25(23)29)18-7-8-22(30-13-18)19-5-3-4-6-21(19)28;1-14(34)25(35)32-10-8-15(9-11-32)22-21(26)23(28)33-24(31-22)18(13-30-33)16-6-7-20(29-12-16)17-4-2-3-5-19(17)27;1-13-3-4-19-16(9-13)10-17(11-27-19)18-12-28-31-22(26)20(25)21(29-23(18)31)15-5-7-30(8-6-15)24(33)14(2)32;1-14(33)20-21(16-6-10-30(11-7-16)24(35)15(2)34)29-23-18(13-28-32(23)22(20)25)17-4-5-19(26-12-17)31-9-3-8-27-31;1-13(32)22(33)29-9-5-14(6-10-29)19-18(23)20(24)31-21(28-19)16(12-27-31)15-3-4-17(25-11-15)30-8-2-7-26-30/h3-8,13-14,16-17,36H,9-12,29H2,1-2H3;2-7,12-15,34H,8-11,28H2,1H3;3-4,9-12,14-15,32H,5-8,26H2,1-2H3;3-5,8-9,12-13,15-16,34H,6-7,10-11,25H2,1-2H3;2-4,7-8,11-14,32H,5-6,9-10,24H2,1H3/t16-;2*14-;15-;13-/m11111/s1
• InChIKey: NMWURGFJFQYHRI-NNVCZTNLSA-N
• XLogP: 15.44
• TPSA: 617.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2537.28
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 159826401) is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-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-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-n4cccn4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5F)nc4)cnn3c(N)c2Br)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-n5cccn5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cc2c1.

What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The InChIKey is NMWURGFJFQYHRI-NNVCZTNLSA-N. The full InChI is InChI=1S/C27H27FN6O3.C25H24BrFN6O2.C24H25BrN6O2.C24H26N8O3.C22H23BrN8O2/c1-15(35)23-24(17-9-11-33(12-10-17)27(37)16(2)36)32-26-20(14-31-34(26)25(23)29)18-7-8-22(30-13-18)19-5-3-4-6-21(19)28;1-14(34)25(35)32-10-8-15(9-11-32)22-21(26)23(28)33-24(31-22)18(13-30-33)16-6-7-20(29-12-16)17-4-2-3-5-19(17)27;1-13-3-4-19-16(9-13)10-17(11-27-19)18-12-28-31-22(26)20(25)21(29-23(18)31)15-5-7-30(8-6-15)24(33)14(2)32;1-14(33)20-21(16-6-10-30(11-7-16)24(35)15(2)34)29-23-18(13-28-32(23)22(20)25)17-4-5-19(26-12-17)31-9-3-8-27-31;1-13(32)22(33)29-9-5-14(6-10-29)19-18(23)20(24)31-21(28-19)16(12-27-31)15-3-4-17(25-11-15)30-8-2-7-26-30/h3-8,13-14,16-17,36H,9-12,29H2,1-2H3;2-7,12-15,34H,8-11,28H2,1H3;3-4,9-12,14-15,32H,5-8,26H2,1-2H3;3-5,8-9,12-13,15-16,34H,6-7,10-11,25H2,1-2H3;2-4,7-8,11-14,32H,5-6,9-10,24H2,1H3/t16-;2*14-;15-;13-/m11111/s1.

What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 2537.28 g/mol, XLogP of 15.44, 21 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-pyrazol-1-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-(2-fluorophenyl)-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-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 159826401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).