(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C127H146Br5N33O11S — CID 158174195

About (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158174195) has the molecular formula C127H146Br5N33O11S and a molecular weight of 2742.37 g/mol. Its IUPAC name is (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158174195
• Molecular Formula: C127H146Br5N33O11S
• Molecular Weight: 2742.37 g/mol
• Exact Mass: 2735.75
• IUPAC Name: (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCS(=O)(=O)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CN(C)C(=O)[C@H](C)O)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CNC(=O)C(C)(CO)CO)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CNC(=O)[C@@H](O)CO)CC5)nc34)cc2c1
• InChI: InChI=1S/C28H34BrN7O3.C27H32BrN7O2.C26H30BrN7O3.C23H25BrN6O2S.C23H25BrN6O/c1-16-4-5-21-18(8-16)9-19(10-31-21)20-11-34-36-24(30)22(29)23(35-25(20)36)17(2)32-12-28(6-7-28)13-33-26(39)27(3,14-37)15-38;1-15-5-6-21-18(9-15)10-19(11-30-21)20-12-32-35-24(29)22(28)23(33-25(20)35)16(2)31-13-27(7-8-27)14-34(4)26(37)17(3)36;1-14-3-4-19-16(7-14)8-17(9-29-19)18-10-32-34-23(28)21(27)22(33-24(18)34)15(2)30-12-26(5-6-26)13-31-25(37)20(36)11-35;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)28-17-5-7-33(31,32)8-6-17;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/h4-5,8-11,17,32,37-38H,6-7,12-15,30H2,1-3H3,(H,33,39);5-6,9-12,16-17,31,36H,7-8,13-14,29H2,1-4H3;3-4,7-10,15,20,30,35-36H,5-6,11-13,28H2,1-2H3,(H,31,37);3-4,9-12,14,17,28H,5-8,25H2,1-2H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3/t;16?,17-;15?,20-;;/m.00../s1
• InChIKey: FXUQJTXEYBHCAL-SJOYKPOPSA-N
• XLogP: 17.75
• TPSA: 628.68 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2742.37
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158174195) is (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCS(=O)(=O)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CN(C)C(=O)[C@H](C)O)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CNC(=O)C(C)(CO)CO)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CNC(=O)[C@@H](O)CO)CC5)nc34)cc2c1.

What is the InChIKey of (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FXUQJTXEYBHCAL-SJOYKPOPSA-N. The full InChI is InChI=1S/C28H34BrN7O3.C27H32BrN7O2.C26H30BrN7O3.C23H25BrN6O2S.C23H25BrN6O/c1-16-4-5-21-18(8-16)9-19(10-31-21)20-11-34-36-24(30)22(29)23(35-25(20)36)17(2)32-12-28(6-7-28)13-33-26(39)27(3,14-37)15-38;1-15-5-6-21-18(9-15)10-19(11-30-21)20-12-32-35-24(29)22(28)23(33-25(20)35)16(2)31-13-27(7-8-27)14-34(4)26(37)17(3)36;1-14-3-4-19-16(7-14)8-17(9-29-19)18-10-32-34-23(28)21(27)22(33-24(18)34)15(2)30-12-26(5-6-26)13-31-25(37)20(36)11-35;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)28-17-5-7-33(31,32)8-6-17;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/h4-5,8-11,17,32,37-38H,6-7,12-15,30H2,1-3H3,(H,33,39);5-6,9-12,16-17,31,36H,7-8,13-14,29H2,1-4H3;3-4,7-10,15,20,30,35-36H,5-6,11-13,28H2,1-2H3,(H,31,37);3-4,9-12,14,17,28H,5-8,25H2,1-2H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3/t;16?,17-;15?,20-;;/m.00../s1.

What are the key properties of (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2742.37 g/mol, XLogP of 17.75, 35 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2,3-dihydroxypropanamide;N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;(2S)-N-[[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methyl]-2-hydroxy-N-methylpropanamide;6-bromo-5-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methylquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158174195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).