N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide

C146H158Br5N37O15 — CID 158516144

IUPACN-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide
SMILESCC(=O)c1c(C(C)NC(=O)C(C)(CO)CO)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H]5CC[C@H](O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H]5C[C@H](O)CN5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CC(CC(=O)C(C)(CO)CO)C5)nc34)cc2c1
InChIInChI=1S/C28H33BrN6O3.C25H28N6O4.2C24H25BrN6O2.C23H24BrN7O2.C22H23BrN6O2/c1-15-4-5-22-18(6-15)10-19(11-31-22)21-12-32-35-26(30)24(29)25(34-27(21)35)16(2)33-20-7-17(8-20)9-23(38)28(3,13-36)14-37;1-13-5-6-19-16(7-13)8-17(9-27-19)18-10-28-31-22(26)20(15(3)34)21(30-23(18)31)14(2)29-24(35)25(4,11-32)12-33;1-12-3-6-19-15(7-12)8-16(10-27-19)18-11-28-31-22(26)20(25)21(30-23(18)31)13(2)29-24(33)14-4-5-17(32)9-14;1-13-3-4-19-16(9-13)10-17(11-27-19)18-12-28-31-22(26)20(25)21(30-23(18)31)14(2)29-24(32)15-5-7-33-8-6-15;1-11-3-4-17-13(5-11)6-14(8-26-17)16-10-28-31-21(25)19(24)20(30-22(16)31)12(2)29-23(33)18-7-15(32)9-27-18;1-11-4-5-17-14(6-11)7-15(8-25-17)16-9-26-29-20(24)18(23)19(28-21(16)29)13(3)27-22(31)12(2)10-30/h4-6,10-12,16-17,20,33,36-37H,7-9,13-14,30H2,1-3H3;5-10,14,32-33H,11-12,26H2,1-4H3,(H,29,35);3,6-8,10-11,13-14,17,32H,4-5,9,26H2,1-2H3,(H,29,33);3-4,9-12,14-15H,5-8,26H2,1-2H3,(H,29,32);3-6,8,10,12,15,18,27,32H,7,9,25H2,1-2H3,(H,29,33);4-9,12-13,30H,10,24H2,1-3H3,(H,27,31)/t;;13?,14-,17+;;12?,15-,18+;12-,13?/m..1.00/s1
InChIKeyHLQLRHONCJVQBK-ARAQRXCMSA-N
MW3070.63 g/mol
LogP20.22
Rot. Bonds33

About N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide

N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide (PubChem CID 158516144) has the molecular formula C146H158Br5N37O15 and a molecular weight of 3070.63 g/mol. Its IUPAC name is N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide
PubChem CID158516144
Molecular FormulaC146H158Br5N37O15
Molecular Weight3070.63 g/mol
Exact Mass3063.87
IUPAC NameN-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide
SMILESCC(=O)c1c(C(C)NC(=O)C(C)(CO)CO)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H]5CC[C@H](O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H]5C[C@H](O)CN5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CC(CC(=O)C(C)(CO)CO)C5)nc34)cc2c1
InChIInChI=1S/C28H33BrN6O3.C25H28N6O4.2C24H25BrN6O2.C23H24BrN7O2.C22H23BrN6O2/c1-15-4-5-22-18(6-15)10-19(11-31-22)21-12-32-35-26(30)24(29)25(34-27(21)35)16(2)33-20-7-17(8-20)9-23(38)28(3,13-36)14-37;1-13-5-6-19-16(7-13)8-17(9-27-19)18-10-28-31-22(26)20(15(3)34)21(30-23(18)31)14(2)29-24(35)25(4,11-32)12-33;1-12-3-6-19-15(7-12)8-16(10-27-19)18-11-28-31-22(26)20(25)21(30-23(18)31)13(2)29-24(33)14-4-5-17(32)9-14;1-13-3-4-19-16(9-13)10-17(11-27-19)18-12-28-31-22(26)20(25)21(30-23(18)31)14(2)29-24(32)15-5-7-33-8-6-15;1-11-3-4-17-13(5-11)6-14(8-26-17)16-10-28-31-21(25)19(24)20(30-22(16)31)12(2)29-23(33)18-7-15(32)9-27-18;1-11-4-5-17-14(6-11)7-15(8-25-17)16-9-26-29-20(24)18(23)19(28-21(16)29)13(3)27-22(31)12(2)10-30/h4-6,10-12,16-17,20,33,36-37H,7-9,13-14,30H2,1-3H3;5-10,14,32-33H,11-12,26H2,1-4H3,(H,29,35);3,6-8,10-11,13-14,17,32H,4-5,9,26H2,1-2H3,(H,29,33);3-4,9-12,14-15H,5-8,26H2,1-2H3,(H,29,32);3-6,8,10,12,15,18,27,32H,7,9,25H2,1-2H3,(H,29,33);4-9,12-13,30H,10,24H2,1-3H3,(H,27,31)/t;;13?,14-,17+;;12?,15-,18+;12-,13?/m..1.00/s1
InChIKeyHLQLRHONCJVQBK-ARAQRXCMSA-N
XLogP20.22
TPSA769.14 Ų
H-Bond Donors20
H-Bond Acceptors47
Rotatable Bonds33
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003070.63
LogP ≤ 520.22
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1047

Analyze N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide (CID 158516144) is N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide is CC(=O)c1c(C(C)NC(=O)C(C)(CO)CO)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C5CCOCC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H](C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@@H]5CC[C@H](O)C5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H]5C[C@H](O)CN5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC5CC(CC(=O)C(C)(CO)CO)C5)nc34)cc2c1.
What is the InChIKey of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?
The InChIKey is HLQLRHONCJVQBK-ARAQRXCMSA-N. The full InChI is InChI=1S/C28H33BrN6O3.C25H28N6O4.2C24H25BrN6O2.C23H24BrN7O2.C22H23BrN6O2/c1-15-4-5-22-18(6-15)10-19(11-31-22)21-12-32-35-26(30)24(29)25(34-27(21)35)16(2)33-20-7-17(8-20)9-23(38)28(3,13-36)14-37;1-13-5-6-19-16(7-13)8-17(9-27-19)18-10-28-31-22(26)20(15(3)34)21(30-23(18)31)14(2)29-24(35)25(4,11-32)12-33;1-12-3-6-19-15(7-12)8-16(10-27-19)18-11-28-31-22(26)20(25)21(30-23(18)31)13(2)29-24(33)14-4-5-17(32)9-14;1-13-3-4-19-16(9-13)10-17(11-27-19)18-12-28-31-22(26)20(25)21(30-23(18)31)14(2)29-24(32)15-5-7-33-8-6-15;1-11-3-4-17-13(5-11)6-14(8-26-17)16-10-28-31-21(25)19(24)20(30-22(16)31)12(2)29-23(33)18-7-15(32)9-27-18;1-11-4-5-17-14(6-11)7-15(8-25-17)16-9-26-29-20(24)18(23)19(28-21(16)29)13(3)27-22(31)12(2)10-30/h4-6,10-12,16-17,20,33,36-37H,7-9,13-14,30H2,1-3H3;5-10,14,32-33H,11-12,26H2,1-4H3,(H,29,35);3,6-8,10-11,13-14,17,32H,4-5,9,26H2,1-2H3,(H,29,33);3-4,9-12,14-15H,5-8,26H2,1-2H3,(H,29,32);3-6,8,10,12,15,18,27,32H,7,9,25H2,1-2H3,(H,29,33);4-9,12-13,30H,10,24H2,1-3H3,(H,27,31)/t;;13?,14-,17+;;12?,15-,18+;12-,13?/m..1.00/s1.
What are the key properties of N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide?
N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide has a molecular weight of 3070.63 g/mol, XLogP of 20.22, 33 rotatable bonds, 20 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide;1-[3-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]cyclobutyl]-4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;(2R,4S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]oxane-4-carboxamide;cis-(1R,3S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 158516144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).