2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate

C107H101Br5N32O6S2 — CID 158774552

About 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate

2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate (PubChem CID 158774552) has the molecular formula C107H101Br5N32O6S2 and a molecular weight of 2394.86 g/mol. Its IUPAC name is 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate.

Molecular Properties

• Compound Name: 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
• PubChem CID: 158774552
• Molecular Formula: C107H101Br5N32O6S2
• Molecular Weight: 2394.86 g/mol
• Exact Mass: 2388.39
• IUPAC Name: 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
• SMILES: CC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C19H17BrN6O2S.C19H17BrN6S/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;20-16-17(21)26-18(24-19(16)25-5-7-29(27,28)8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13;20-16-17(21)26-18(24-19(16)25-5-7-27-8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11H,5-8,21H2;1-4,9-11H,5-8,21H2
• InChIKey: IQHRAQUPBFXLSG-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 488.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 13
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.86
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?

The IUPAC name of 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate (CID 158774552) is 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate.

What is the SMILES notation for 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?

The canonical SMILES for 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate is CC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?

The InChIKey is IQHRAQUPBFXLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C19H17BrN6O2S.C19H17BrN6S/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;20-16-17(21)26-18(24-19(16)25-5-7-29(27,28)8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13;20-16-17(21)26-18(24-19(16)25-5-7-27-8-6-25)14(11-23-26)13-9-12-3-1-2-4-15(12)22-10-13/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11H,5-8,21H2;1-4,9-11H,5-8,21H2.

What are the key properties of 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?

2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate has a molecular weight of 2394.86 g/mol, XLogP of 18.04, 13 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 158774552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).