2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane

C122H132Br5N35O9 — CID 158526342

About 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane

2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane (PubChem CID 158526342) has the molecular formula C122H132Br5N35O9 and a molecular weight of 2632.15 g/mol. Its IUPAC name is 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane.

Molecular Properties

• Compound Name: 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane
• PubChem CID: 158526342
• Molecular Formula: C122H132Br5N35O9
• Molecular Weight: 2632.15 g/mol
• Exact Mass: 2625.69
• IUPAC Name: 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane
• SMILES: C.C.CC(C)NC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.CC(O)CC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.CC(O)CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.NCC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C25H27BrN8O.C25H26BrN7O2.C24H25BrN6O2.C23H23BrN8O.C23H23BrN6O3.2CH4/c1-15(2)31-25(35)33-10-7-16(8-11-33)22-21(26)23(27)34-24(32-22)19(14-30-34)17-5-6-20(29-13-17)18-4-3-9-28-12-18;1-15(34)11-21(35)32-9-6-16(7-10-32)23-22(26)24(27)33-25(31-23)19(14-30-33)17-4-5-20(29-13-17)18-3-2-8-28-12-18;1-14(32)10-20(33)30-8-6-15(7-9-30)22-21(25)23(26)31-24(29-22)18(13-28-31)17-11-16-4-2-3-5-19(16)27-12-17;24-20-21(14-5-8-31(9-6-14)19(33)10-25)30-23-17(13-29-32(23)22(20)26)15-3-4-18(28-12-15)16-2-1-7-27-11-16;24-19-20(13-5-7-29(8-6-13)23(33)18(32)12-31)28-22-16(11-27-30(22)21(19)25)15-9-14-3-1-2-4-17(14)26-10-15;;/h3-6,9,12-16H,7-8,10-11,27H2,1-2H3,(H,31,35);2-5,8,12-16,34H,6-7,9-11,27H2,1H3;2-5,11-15,32H,6-10,26H2,1H3;1-4,7,11-14H,5-6,8-10,25-26H2;1-4,9-11,13,18,31-32H,5-8,12,25H2;2*1H4/t;;;;18-;;/m....1../s1
• InChIKey: HMVFKCPOULCIHU-SKSUCKENSA-N
• XLogP: 18.42
• TPSA: 604.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.15
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane?

The IUPAC name of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane (CID 158526342) is 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane.

What is the SMILES notation for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane?

The canonical SMILES for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane is C.C.CC(C)NC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.CC(O)CC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.CC(O)CC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.NCC(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane?

The InChIKey is HMVFKCPOULCIHU-SKSUCKENSA-N. The full InChI is InChI=1S/C25H27BrN8O.C25H26BrN7O2.C24H25BrN6O2.C23H23BrN8O.C23H23BrN6O3.2CH4/c1-15(2)31-25(35)33-10-7-16(8-11-33)22-21(26)23(27)34-24(32-22)19(14-30-34)17-5-6-20(29-13-17)18-4-3-9-28-12-18;1-15(34)11-21(35)32-9-6-16(7-10-32)23-22(26)24(27)33-25(31-23)19(14-30-33)17-4-5-20(29-13-17)18-3-2-8-28-12-18;1-14(32)10-20(33)30-8-6-15(7-9-30)22-21(25)23(26)31-24(29-22)18(13-28-31)17-11-16-4-2-3-5-19(16)27-12-17;24-20-21(14-5-8-31(9-6-14)19(33)10-25)30-23-17(13-29-32(23)22(20)26)15-3-4-18(28-12-15)16-2-1-7-27-11-16;24-19-20(13-5-7-29(8-6-13)23(33)18(32)12-31)28-22-16(11-27-30(22)21(19)25)15-9-14-3-1-2-4-17(14)26-10-15;;/h3-6,9,12-16H,7-8,10-11,27H2,1-2H3,(H,31,35);2-5,8,12-16,34H,6-7,9-11,27H2,1H3;2-5,11-15,32H,6-10,26H2,1H3;1-4,7,11-14H,5-6,8-10,25-26H2;1-4,9-11,13,18,31-32H,5-8,12,25H2;2*1H4/t;;;;18-;;/m....1../s1.

What are the key properties of 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane?

2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane has a molecular weight of 2632.15 g/mol, XLogP of 18.42, 21 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone;1-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;(2R)-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxybutan-1-one;methane is sourced from PubChem (CID 158526342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).