N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate

C117H123Br5N32O15 — CID 158838469

About N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate

N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate (PubChem CID 158838469) has the molecular formula C117H123Br5N32O15 and a molecular weight of 2617.00 g/mol. Its IUPAC name is N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate
• PubChem CID: 158838469
• Molecular Formula: C117H123Br5N32O15
• Molecular Weight: 2617.00 g/mol
• Exact Mass: 2610.58
• IUPAC Name: N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate
• SMILES: COC(=O)C1(C(=O)NC(C)c2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CCO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CCOCC(O)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5CCOC(CO)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5C[C@H](O)C[C@H]5CO)nc34)cc2c1
• InChI: InChI=1S/2C24H26BrN7O3.C24H27BrN6O4.C24H23BrN6O3.C21H21BrN6O2/c1-12-3-4-19-14(5-12)6-15(8-27-19)18-9-28-32-22(26)20(25)21(30-23(18)32)13(2)29-24(35)31-10-17(34)7-16(31)11-33;1-13-3-4-19-15(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)31-5-6-35-17(11-31)12-33;1-13-3-4-19-15(7-13)8-16(9-27-19)18-10-28-31-23(26)21(25)22(30-24(18)31)14(2)29-20(34)5-6-35-12-17(33)11-32;1-12-4-5-17-14(8-12)9-15(10-27-17)16-11-28-31-20(26)18(25)19(30-21(16)31)13(2)29-22(32)24(6-7-24)23(33)34-3;1-11-3-4-16-13(7-11)8-14(9-24-16)15-10-25-28-20(23)18(22)19(27-21(15)28)12(2)26-17(30)5-6-29/h3-6,8-9,13,16-17,33-34H,7,10-11,26H2,1-2H3,(H,29,35);3-4,7-10,14,17,33H,5-6,11-12,26H2,1-2H3,(H,29,34);3-4,7-10,14,17,32-33H,5-6,11-12,26H2,1-2H3,(H,29,34);4-5,8-11,13H,6-7,26H2,1-3H3,(H,29,32);3-4,7-10,12,29H,5-6,23H2,1-2H3,(H,26,30)/t13?,16-,17+;;;;/m0..../s1
• InChIKey: IXXYNLUMXLLERK-WBDRMUCTSA-N
• XLogP: 15.28
• TPSA: 663.62 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2617.00
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate?

The IUPAC name of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate (CID 158838469) is N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate.

What is the SMILES notation for N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate?

The canonical SMILES for N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)NC(C)c2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CCO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CCOCC(O)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5CCOC(CO)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)N5C[C@H](O)C[C@H]5CO)nc34)cc2c1.

What is the InChIKey of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate?

The InChIKey is IXXYNLUMXLLERK-WBDRMUCTSA-N. The full InChI is InChI=1S/2C24H26BrN7O3.C24H27BrN6O4.C24H23BrN6O3.C21H21BrN6O2/c1-12-3-4-19-14(5-12)6-15(8-27-19)18-9-28-32-22(26)20(25)21(30-23(18)32)13(2)29-24(35)31-10-17(34)7-16(31)11-33;1-13-3-4-19-15(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)31-5-6-35-17(11-31)12-33;1-13-3-4-19-15(7-13)8-16(9-27-19)18-10-28-31-23(26)21(25)22(30-24(18)31)14(2)29-20(34)5-6-35-12-17(33)11-32;1-12-4-5-17-14(8-12)9-15(10-27-17)16-11-28-31-20(26)18(25)19(30-21(16)31)13(2)29-22(32)24(6-7-24)23(33)34-3;1-11-3-4-16-13(7-11)8-14(9-24-16)15-10-25-28-20(23)18(22)19(27-21(15)28)12(2)26-17(30)5-6-29/h3-6,8-9,13,16-17,33-34H,7,10-11,26H2,1-2H3,(H,29,35);3-4,7-10,14,17,33H,5-6,11-12,26H2,1-2H3,(H,29,34);3-4,7-10,14,17,32-33H,5-6,11-12,26H2,1-2H3,(H,29,34);4-5,8-11,13H,6-7,26H2,1-3H3,(H,29,32);3-4,7-10,12,29H,5-6,23H2,1-2H3,(H,26,30)/t13?,16-,17+;;;;/m0..../s1.

What are the key properties of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate?

N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate has a molecular weight of 2617.00 g/mol, XLogP of 15.28, 27 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158838469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).