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

C114H123Br5N30O9S2 — CID 159111534

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

[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159111534) has the molecular formula C114H123Br5N30O9S2 and a molecular weight of 2521.09 g/mol. Its IUPAC name is [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159111534
• Molecular Formula: C114H123Br5N30O9S2
• Molecular Weight: 2521.09 g/mol
• Exact Mass: 2514.54
• IUPAC Name: [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(C)(CO)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCCS(=O)(=O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCS(=O)(=O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CO)CC5)nc34)cc2c1
• InChI: InChI=1S/C23H25BrN6O3.C23H25BrN6O2S.2C23H25BrN6O.C22H23BrN6O2S/c1-12-4-5-17-14(6-12)7-15(8-26-17)16-9-27-30-20(25)18(24)19(29-21(16)30)13(2)28-22(33)23(3,10-31)11-32;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;1-13-3-4-19-15(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;1-13-3-4-18-15(7-13)8-16(9-26-18)17-10-28-30-21(25)19(24)20(29-22(17)30)14(2)27-11-23(12-31)5-6-23;1-12-3-4-18-14(7-12)8-15(9-25-18)17-10-26-29-21(24)19(23)20(28-22(17)29)13(2)27-16-5-6-32(30,31)11-16/h4-9,13,31-32H,10-11,25H2,1-3H3,(H,28,33);5-6,8-11,14,17,28H,3-4,7,12,25H2,1-2H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3;3-4,7-10,14,27,31H,5-6,11-12,25H2,1-2H3;3-4,7-10,13,16,27H,5-6,11,24H2,1-2H3
• InChIKey: KEOFLEWHFJXNSY-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 560.92 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.09
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 159111534) is [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(C)(CO)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCCS(=O)(=O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CCS(=O)(=O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NCC5(CO)CC5)nc34)cc2c1.

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

The InChIKey is KEOFLEWHFJXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN6O3.C23H25BrN6O2S.2C23H25BrN6O.C22H23BrN6O2S/c1-12-4-5-17-14(6-12)7-15(8-26-17)16-9-27-30-20(25)18(24)19(29-21(16)30)13(2)28-22(33)23(3,10-31)11-32;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;1-13-3-4-19-15(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;1-13-3-4-18-15(7-13)8-16(9-26-18)17-10-28-30-21(25)19(24)20(29-22(17)30)14(2)27-11-23(12-31)5-6-23;1-12-3-4-18-14(7-12)8-15(9-25-18)17-10-26-29-21(24)19(23)20(28-22(17)29)13(2)27-16-5-6-32(30,31)11-16/h4-9,13,31-32H,10-11,25H2,1-3H3,(H,28,33);5-6,8-11,14,17,28H,3-4,7,12,25H2,1-2H3;3-4,9-12,14,17,28H,5-8,25H2,1-2H3;3-4,7-10,14,27,31H,5-6,11-12,25H2,1-2H3;3-4,7-10,13,16,27H,5-6,11,24H2,1-2H3.

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

[1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2521.09 g/mol, XLogP of 18.47, 24 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]methyl]cyclopropyl]methanol;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;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-5-[1-[(1,1-dioxothiolan-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-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159111534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).