4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C113H110Br3N25O8S2 — CID 158441182

About 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158441182) has the molecular formula C113H110Br3N25O8S2 and a molecular weight of 2250.14 g/mol. Its IUPAC name is 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158441182
• Molecular Formula: C113H110Br3N25O8S2
• Molecular Weight: 2250.14 g/mol
• Exact Mass: 2245.60
• IUPAC Name: 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)N1CCC(CCc2nc3c(-c4ccc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(CCC2CCN(S(=O)(=O)C3CC3)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(CCc2ccncc2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1cc(CCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C26H28BrN5O2S.C24H26BrN5O2S.C23H18BrN5.C21H21N5O2.C19H17N5O2/c27-24-23(10-5-17-11-13-31(14-12-17)35(33,34)21-8-9-21)30-26-22(16-29-32(26)25(24)28)20-7-6-18-3-1-2-4-19(18)15-20;1-33(31,32)29-12-10-16(11-13-29)6-9-21-22(25)23(26)30-24(28-21)20(15-27-30)19-8-7-17-4-2-3-5-18(17)14-19;24-21-20(8-5-15-9-11-26-12-10-15)28-23-19(14-27-29(23)22(21)25)18-7-6-16-3-1-2-4-17(16)13-18;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;20-17-9-14(5-3-7-18(25)26)23-19-15(11-22-24(17)19)13-8-12-4-1-2-6-16(12)21-10-13/h1-4,6-7,15-17,21H,5,8-14,28H2;2-5,7-8,14-16H,6,9-13,26H2,1H3;1-4,6-7,9-14H,5,8,25H2;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);1-2,4,6,8-11H,3,5,7,20H2,(H,25,26)
• InChIKey: HCVHMYKKVPYSFY-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 469.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2250.14
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158441182) is 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)N1CCC(CCc2nc3c(-c4ccc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(CCC2CCN(S(=O)(=O)C3CC3)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(CCc2ccncc2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1cc(CCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is HCVHMYKKVPYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN5O2S.C24H26BrN5O2S.C23H18BrN5.C21H21N5O2.C19H17N5O2/c27-24-23(10-5-17-11-13-31(14-12-17)35(33,34)21-8-9-21)30-26-22(16-29-32(26)25(24)28)20-7-6-18-3-1-2-4-19(18)15-20;1-33(31,32)29-12-10-16(11-13-29)6-9-21-22(25)23(26)30-24(28-21)20(15-27-30)19-8-7-17-4-2-3-5-18(17)14-19;24-21-20(8-5-15-9-11-26-12-10-15)28-23-19(14-27-29(23)22(21)25)18-7-6-16-3-1-2-4-17(16)13-18;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;20-17-9-14(5-3-7-18(25)26)23-19-15(11-22-24(17)19)13-8-12-4-1-2-6-16(12)21-10-13/h1-4,6-7,15-17,21H,5,8-14,28H2;2-5,7-8,14-16H,6,9-13,26H2,1H3;1-4,6-7,9-14H,5,8,25H2;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);1-2,4,6,8-11H,3,5,7,20H2,(H,25,26).

What are the key properties of 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2250.14 g/mol, XLogP of 21.25, 27 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)butanoic acid;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;6-bromo-5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158441182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).