(2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C118H128Br5N33O10S — CID 158041394

About (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

(2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158041394) has the molecular formula C118H128Br5N33O10S and a molecular weight of 2600.13 g/mol. Its IUPAC name is (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158041394
• Molecular Formula: C118H128Br5N33O10S
• Molecular Weight: 2600.13 g/mol
• Exact Mass: 2593.62
• IUPAC Name: (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCCOC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCCS(=O)(=O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CN(C)C(=O)[C@H](O)CO)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC(=O)N5CCOCC5)nc34)cc2c1
• InChI: InChI=1S/C27H32BrN7O3.C23H24BrN7O2.C23H25BrN6O2S.C23H25BrN6O.C22H22BrN7O2/c1-15-4-5-20-17(8-15)9-18(10-30-20)19-11-32-35-24(29)22(28)23(33-25(19)35)16(2)31-13-27(6-7-27)14-34(3)26(38)21(37)12-36;1-13-3-4-18-15(9-13)10-16(11-26-18)17-12-27-31-21(25)19(24)20(29-22(17)31)14(2)28-23(32)30-5-7-33-8-6-30;1-13-5-6-19-15(8-13)9-16(10-26-19)18-11-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-4-3-7-33(31,32)12-17;1-13-5-6-19-15(8-13)9-16(10-26-19)18-11-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-4-3-7-31-12-17;1-13-2-3-17-14(8-13)9-15(10-25-17)16-11-27-30-20(24)19(23)18(28-21(16)30)12-26-22(31)29-4-6-32-7-5-29/h4-5,8-11,16,21,31,36-37H,6-7,12-14,29H2,1-3H3;3-4,9-12,14H,5-8,25H2,1-2H3,(H,28,32);5-6,8-11,14,17,28H,3-4,7,12,25H2,1-2H3;5-6,8-11,14,17,28H,3-4,7,12,25H2,1-2H3;2-3,8-11H,4-7,12,24H2,1H3,(H,26,31)/t16?,21-;;;;/m1..../s1
• InChIKey: FIJYMBGNIZZSNJ-CAJZZFGFSA-N
• XLogP: 17.93
• TPSA: 568.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2600.13
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158041394) is (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCCOC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCCS(=O)(=O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CN(C)C(=O)[C@H](O)CO)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC(=O)N5CCOCC5)nc34)cc2c1.

What is the InChIKey of (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FIJYMBGNIZZSNJ-CAJZZFGFSA-N. The full InChI is InChI=1S/C27H32BrN7O3.C23H24BrN7O2.C23H25BrN6O2S.C23H25BrN6O.C22H22BrN7O2/c1-15-4-5-20-17(8-15)9-18(10-30-20)19-11-32-35-24(29)22(28)23(33-25(19)35)16(2)31-13-27(6-7-27)14-34(3)26(38)21(37)12-36;1-13-3-4-18-15(9-13)10-16(11-26-18)17-12-27-31-21(25)19(24)20(29-22(17)31)14(2)28-23(32)30-5-7-33-8-6-30;1-13-5-6-19-15(8-13)9-16(10-26-19)18-11-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-4-3-7-33(31,32)12-17;1-13-5-6-19-15(8-13)9-16(10-26-19)18-11-27-30-22(25)20(24)21(29-23(18)30)14(2)28-17-4-3-7-31-12-17;1-13-2-3-17-14(8-13)9-15(10-25-17)16-11-27-30-20(24)19(23)18(28-21(16)30)12-26-22(31)29-4-6-32-7-5-29/h4-5,8-11,16,21,31,36-37H,6-7,12-14,29H2,1-3H3;3-4,9-12,14H,5-8,25H2,1-2H3,(H,28,32);5-6,8-11,14,17,28H,3-4,7,12,25H2,1-2H3;5-6,8-11,14,17,28H,3-4,7,12,25H2,1-2H3;2-3,8-11H,4-7,12,24H2,1H3,(H,26,31)/t16?,21-;;;;/m1..../s1.

What are the key properties of (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

(2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2600.13 g/mol, XLogP of 17.93, 23 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-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-dihydroxy-N-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]morpholine-4-carboxamide;N-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine-4-carboxamide;6-bromo-5-[1-[(1,1-dioxothian-3-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-3-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158041394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).