1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C114H122Br4N32O15S — CID 158189948

About 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 158189948) has the molecular formula C114H122Br4N32O15S and a molecular weight of 2532.12 g/mol. Its IUPAC name is 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 158189948
• Molecular Formula: C114H122Br4N32O15S
• Molecular Weight: 2532.12 g/mol
• Exact Mass: 2526.62
• IUPAC Name: 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(N(C)C2CCS(=O)(=O)C2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(C)(CO)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5CCOCC5CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)NC(C)(CO)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](O)CO)nc34)cc2c1
• InChI: InChI=1S/C24H26BrN7O3.C23H26BrN7O3.C23H25BrN6O3.C23H24N6O3S.C21H21BrN6O3/c1-13-3-4-19-15(7-13)8-16(9-27-19)18-10-28-32-22(26)20(25)21(30-23(18)32)14(2)29-24(34)31-5-6-35-12-17(31)11-33;1-12-4-5-17-14(6-12)7-15(8-26-17)16-9-27-31-20(25)18(24)19(29-21(16)31)13(2)28-22(34)30-23(3,10-32)11-33;1-12-4-5-17-14(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;1-13-4-5-19-15(8-13)9-16(10-25-19)18-11-26-29-21(24)20(14(2)30)23(27-22(18)29)28(3)17-6-7-33(31,32)12-17;1-10-3-4-15-12(5-10)6-13(7-24-15)14-8-25-28-19(23)17(22)18(27-20(14)28)11(2)26-21(31)16(30)9-29/h3-4,7-10,14,17,33H,5-6,11-12,26H2,1-2H3,(H,29,34);4-9,13,32-33H,10-11,25H2,1-3H3,(H2,28,30,34);4-9,13,31-32H,10-11,25H2,1-3H3,(H,28,33);4-5,8-11,17H,6-7,12,24H2,1-3H3;3-8,11,16,29-30H,9,23H2,1-2H3,(H,26,31)/t;;;;11?,16-/m....0/s1
• InChIKey: FZPWCNAHUHSDPP-FCRRBWPGSA-N
• XLogP: 13.32
• TPSA: 682.46 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2532.12
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	41

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]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 158189948) is 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(N(C)C2CCS(=O)(=O)C2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(C)(CO)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5CCOCC5CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)NC(C)(CO)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](O)CO)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]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is FZPWCNAHUHSDPP-FCRRBWPGSA-N. The full InChI is InChI=1S/C24H26BrN7O3.C23H26BrN7O3.C23H25BrN6O3.C23H24N6O3S.C21H21BrN6O3/c1-13-3-4-19-15(7-13)8-16(9-27-19)18-10-28-32-22(26)20(25)21(30-23(18)32)14(2)29-24(34)31-5-6-35-12-17(31)11-33;1-12-4-5-17-14(6-12)7-15(8-26-17)16-9-27-31-20(25)18(24)19(29-21(16)31)13(2)28-22(34)30-23(3,10-32)11-33;1-12-4-5-17-14(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;1-13-4-5-19-15(8-13)9-16(10-25-19)18-11-26-29-21(24)20(14(2)30)23(27-22(18)29)28(3)17-6-7-33(31,32)12-17;1-10-3-4-15-12(5-10)6-13(7-24-15)14-8-25-28-19(23)17(22)18(27-20(14)28)11(2)26-21(31)16(30)9-29/h3-4,7-10,14,17,33H,5-6,11-12,26H2,1-2H3,(H,29,34);4-9,13,32-33H,10-11,25H2,1-3H3,(H2,28,30,34);4-9,13,31-32H,10-11,25H2,1-3H3,(H,28,33);4-5,8-11,17H,6-7,12,24H2,1-3H3;3-8,11,16,29-30H,9,23H2,1-2H3,(H,26,31)/t;;;;11?,16-/m....0/s1.

What are the key properties of 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2532.12 g/mol, XLogP of 13.32, 25 rotatable bonds, 17 hydrogen bond donors, and 41 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]ethyl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2,3-dihydroxypropanamide;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;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(hydroxymethyl)morpholine-4-carboxamide;1-[7-amino-5-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 158189948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).