2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C102H100Br5N29O8S — CID 158048089

About 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158048089) has the molecular formula C102H100Br5N29O8S and a molecular weight of 2291.70 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158048089
• Molecular Formula: C102H100Br5N29O8S
• Molecular Weight: 2291.70 g/mol
• Exact Mass: 2285.39
• IUPAC Name: 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.N#CCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4cc(Br)ccc4c3)cnn12.Nc1c(Br)c(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12.Nc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12
• InChI: InChI=1S/C24H22Br2N4O2.C22H20BrN7.C20H19BrN6O2S.C18H19BrN6O2.C18H20N6O2/c25-18-8-7-15-10-17(6-5-16(15)11-18)19-12-28-30-23(27)21(26)22(29-24(19)30)14-3-1-13(2-4-14)9-20(31)32;23-19-20(25)30-21(28-22(19)29-9-6-14(5-8-24)7-10-29)17(13-27-30)16-11-15-3-1-2-4-18(15)26-12-16;1-30(28,29)26-7-6-13(11-26)18-17(21)19(22)27-20(25-18)15(10-24-27)14-8-12-4-2-3-5-16(12)23-9-14;19-15-16(20)25-17(13(10-22-25)12-2-1-5-21-9-12)23-18(15)24-6-3-11(4-7-24)8-14(26)27;19-15-9-16(23-6-3-12(4-7-23)8-17(25)26)22-18-14(11-21-24(15)18)13-2-1-5-20-10-13/h5-8,10-14H,1-4,9,27H2,(H,31,32);1-4,11-14H,5-7,9-10,25H2;2-5,8-10,13H,6-7,11,22H2,1H3;1-2,5,9-11H,3-4,6-8,20H2,(H,26,27);1-2,5,9-12H,3-4,6-8,19H2,(H,25,26)
• InChIKey: FJDQPTNMCFYIAA-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 515.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.70
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158048089) is 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.N#CCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4cc(Br)ccc4c3)cnn12.Nc1c(Br)c(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12.Nc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12.

What is the InChIKey of 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FJDQPTNMCFYIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N4O2.C22H20BrN7.C20H19BrN6O2S.C18H19BrN6O2.C18H20N6O2/c25-18-8-7-15-10-17(6-5-16(15)11-18)19-12-28-30-23(27)21(26)22(29-24(19)30)14-3-1-13(2-4-14)9-20(31)32;23-19-20(25)30-21(28-22(19)29-9-6-14(5-8-24)7-10-29)17(13-27-30)16-11-15-3-1-2-4-18(15)26-12-16;1-30(28,29)26-7-6-13(11-26)18-17(21)19(22)27-20(25-18)15(10-24-27)14-8-12-4-2-3-5-16(12)23-9-14;19-15-16(20)25-17(13(10-22-25)12-2-1-5-21-9-12)23-18(15)24-6-3-11(4-7-24)8-14(26)27;19-15-9-16(23-6-3-12(4-7-23)8-17(25)26)22-18-14(11-21-24(15)18)13-2-1-5-20-10-13/h5-8,10-14H,1-4,9,27H2,(H,31,32);1-4,11-14H,5-7,9-10,25H2;2-5,8-10,13H,6-7,11,22H2,1H3;1-2,5,9-11H,3-4,6-8,20H2,(H,26,27);1-2,5,9-12H,3-4,6-8,19H2,(H,25,26).

What are the key properties of 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2291.70 g/mol, XLogP of 18.75, 18 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158048089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).