1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone

C128H142Br5N35O8 — CID 159341936

About 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone

1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone (PubChem CID 159341936) has the molecular formula C128H142Br5N35O8 and a molecular weight of 2698.30 g/mol. Its IUPAC name is 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone.

Molecular Properties

• Compound Name: 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone
• PubChem CID: 159341936
• Molecular Formula: C128H142Br5N35O8
• Molecular Weight: 2698.30 g/mol
• Exact Mass: 2691.77
• IUPAC Name: 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone
• SMILES: CC(=O)N1CCC(C)(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.CC(=O)N1CCC(NC(C)c2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)C6(C)COC6)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)C6(O)CC6)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)[C@H](C)O)CC5)nc34)cc2c1
• InChI: InChI=1S/C27H30BrN7O2.C26H28BrN7O2.C25H28BrN7O2.2C25H28BrN7O/c1-16-3-4-21-17(9-16)10-18(11-31-21)20-12-32-35-24(29)23(28)22(33-25(20)35)13-30-19-5-7-34(8-6-19)26(36)27(2)14-37-15-27;1-15-2-3-20-16(10-15)11-17(12-30-20)19-13-31-34-23(28)22(27)21(32-24(19)34)14-29-18-4-8-33(9-5-18)25(35)26(36)6-7-26;1-14-3-4-20-16(9-14)10-17(11-29-20)19-12-30-33-23(27)22(26)21(31-24(19)33)13-28-18-5-7-32(8-6-18)25(35)15(2)34;1-15-4-5-20-17(10-15)11-18(12-28-20)19-13-30-33-23(27)22(26)21(31-24(19)33)14-29-25(3)6-8-32(9-7-25)16(2)34;1-14-4-5-21-17(10-14)11-18(12-28-21)20-13-29-33-24(27)22(26)23(31-25(20)33)15(2)30-19-6-8-32(9-7-19)16(3)34/h3-4,9-12,19,30H,5-8,13-15,29H2,1-2H3;2-3,10-13,18,29,36H,4-9,14,28H2,1H3;3-4,9-12,15,18,28,34H,5-8,13,27H2,1-2H3;4-5,10-13,29H,6-9,14,27H2,1-3H3;4-5,10-13,15,19,30H,6-9,27H2,1-3H3/t;;15-;;/m..0../s1
• InChIKey: LGGAIUYOBUVSAH-NTXYNSTHSA-N
• XLogP: 18.32
• TPSA: 556.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2698.30
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone?

The IUPAC name of 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone (CID 159341936) is 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone.

What is the SMILES notation for 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone?

The canonical SMILES for 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone is CC(=O)N1CCC(C)(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.CC(=O)N1CCC(NC(C)c2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)C6(C)COC6)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)C6(O)CC6)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)[C@H](C)O)CC5)nc34)cc2c1.

What is the InChIKey of 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone?

The InChIKey is LGGAIUYOBUVSAH-NTXYNSTHSA-N. The full InChI is InChI=1S/C27H30BrN7O2.C26H28BrN7O2.C25H28BrN7O2.2C25H28BrN7O/c1-16-3-4-21-17(9-16)10-18(11-31-21)20-12-32-35-24(29)23(28)22(33-25(20)35)13-30-19-5-7-34(8-6-19)26(36)27(2)14-37-15-27;1-15-2-3-20-16(10-15)11-17(12-30-20)19-13-31-34-23(28)22(27)21(32-24(19)34)14-29-18-4-8-33(9-5-18)25(35)26(36)6-7-26;1-14-3-4-20-16(9-14)10-17(11-29-20)19-12-30-33-23(27)22(26)21(31-24(19)33)13-28-18-5-7-32(8-6-18)25(35)15(2)34;1-15-4-5-20-17(10-15)11-18(12-28-20)19-13-30-33-23(27)22(26)21(31-24(19)33)14-29-25(3)6-8-32(9-7-25)16(2)34;1-14-4-5-21-17(10-14)11-18(12-28-21)20-13-29-33-24(27)22(26)23(31-25(20)33)15(2)30-19-6-8-32(9-7-19)16(3)34/h3-4,9-12,19,30H,5-8,13-15,29H2,1-2H3;2-3,10-13,18,29,36H,4-9,14,28H2,1H3;3-4,9-12,15,18,28,34H,5-8,13,27H2,1-2H3;4-5,10-13,29H,6-9,14,27H2,1-3H3;4-5,10-13,15,19,30H,6-9,27H2,1-3H3/t;;15-;;/m..0../s1.

What are the key properties of 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone?

1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone has a molecular weight of 2698.30 g/mol, XLogP of 18.32, 23 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methylpiperidin-1-yl]ethanone;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;(2S)-1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-hydroxypropan-1-one;[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 159341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).