(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C112H119Br3N30O10S2 — CID 160960801

About (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160960801) has the molecular formula C112H119Br3N30O10S2 and a molecular weight of 2349.23 g/mol. Its IUPAC name is (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160960801
• Molecular Formula: C112H119Br3N30O10S2
• Molecular Weight: 2349.23 g/mol
• Exact Mass: 2344.67
• IUPAC Name: (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)CCCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.CS(=O)(=O)CCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)cc(C(C)NC5CCOCC5)nc34)cc2c1
• InChI: InChI=1S/C27H28N6O4.C23H25BrN6O.C23H26N6O.C20H21BrN6O2S.C19H19BrN6O2S/c1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17;1-13-3-4-19-15(9-13)10-16(11-26-19)18-12-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-5-7-31-8-6-17;1-14-3-4-20-16(9-14)10-17(12-25-20)19-13-26-29-22(24)11-21(28-23(19)29)15(2)27-18-5-7-30-8-6-18;1-30(28,29)8-4-7-23-12-17-18(21)19(22)27-20(26-17)15(11-25-27)14-9-13-5-2-3-6-16(13)24-10-14;1-29(27,28)7-6-22-11-16-17(20)18(21)26-19(25-16)14(10-24-26)13-8-12-4-2-3-5-15(12)23-9-13/h2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3;3-4,9-13,15,18,27H,5-8,24H2,1-2H3;2-3,5-6,9-11,23H,4,7-8,12,22H2,1H3;2-5,8-10,22H,6-7,11,21H2,1H3/t16-;;;;/m1..../s1
• InChIKey: SWZFUVNUSMKFJG-XIYRCBLHSA-N
• XLogP: 15.63
• TPSA: 558.20 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.23
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 160960801) is (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)CCCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.CS(=O)(=O)CCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)cc(C(C)NC5CCOCC5)nc34)cc2c1.

What is the InChIKey of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is SWZFUVNUSMKFJG-XIYRCBLHSA-N. The full InChI is InChI=1S/C27H28N6O4.C23H25BrN6O.C23H26N6O.C20H21BrN6O2S.C19H19BrN6O2S/c1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17;1-13-3-4-19-15(9-13)10-16(11-26-19)18-12-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-5-7-31-8-6-17;1-14-3-4-20-16(9-14)10-17(12-25-20)19-13-26-29-22(24)11-21(28-23(19)29)15(2)27-18-5-7-30-8-6-18;1-30(28,29)8-4-7-23-12-17-18(21)19(22)27-20(26-17)15(11-25-27)14-9-13-5-2-3-6-16(13)24-10-14;1-29(27,28)7-6-22-11-16-17(20)18(21)26-19(25-16)14(10-24-26)13-8-12-4-2-3-5-15(12)23-9-13/h2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3;3-4,9-13,15,18,27H,5-8,24H2,1-2H3;2-3,5-6,9-11,23H,4,7-8,12,22H2,1H3;2-5,8-10,22H,6-7,11,21H2,1H3/t16-;;;;/m1..../s1.

What are the key properties of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2349.23 g/mol, XLogP of 15.63, 27 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methylsulfonylpropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160960801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).