2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine

C110H115Br5N26O13S2 — CID 159362713

About 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159362713) has the molecular formula C110H115Br5N26O13S2 and a molecular weight of 2472.95 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159362713
• Molecular Formula: C110H115Br5N26O13S2
• Molecular Weight: 2472.95 g/mol
• Exact Mass: 2466.45
• IUPAC Name: 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COc1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)cn1.COc1cncc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)c1.CS(=O)(=O)N1CCC(c2nc3c(-c4ccc5ncccc5c4)cnn3c(N)c2Br)C1.Cc1ccc2c(-c3cnn4c(N)c(Br)c(C5CCC(CC(=O)O)CC5)nc34)ccnc2c1.Cc1ccc2cc(-c3cnn4c(N)c(Br)c(C5CCC(CC(=O)NS(C)(=O)=O)CC5)nc34)ccc2c1
• InChI: InChI=1S/C26H28BrN5O3S.C24H24BrN5O2.C20H19BrN6O2S.2C20H22BrN5O3/c1-15-3-6-19-13-20(10-9-18(19)11-15)21-14-29-32-25(28)23(27)24(30-26(21)32)17-7-4-16(5-8-17)12-22(33)31-36(2,34)35;1-13-2-7-17-16(8-9-27-19(17)10-13)18-12-28-30-23(26)21(25)22(29-24(18)30)15-5-3-14(4-6-15)11-20(31)32;1-30(28,29)26-8-6-14(11-26)18-17(21)19(22)27-20(25-18)15(10-24-27)12-4-5-16-13(9-12)3-2-7-23-16;1-29-14-7-13(8-23-9-14)15-10-24-26-19(22)17(21)18(25-20(15)26)12-4-2-11(3-5-12)6-16(27)28;1-29-15-7-6-13(9-23-15)14-10-24-26-19(22)17(21)18(25-20(14)26)12-4-2-11(3-5-12)8-16(27)28/h3,6,9-11,13-14,16-17H,4-5,7-8,12,28H2,1-2H3,(H,31,33);2,7-10,12,14-15H,3-6,11,26H2,1H3,(H,31,32);2-5,7,9-10,14H,6,8,11,22H2,1H3;7-12H,2-6,22H2,1H3,(H,27,28);6-7,9-12H,2-5,8,22H2,1H3,(H,27,28)
• InChIKey: LISXKUTUQQZCQG-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 563.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.95
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159362713) is 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)cn1.COc1cncc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)c1.CS(=O)(=O)N1CCC(c2nc3c(-c4ccc5ncccc5c4)cnn3c(N)c2Br)C1.Cc1ccc2c(-c3cnn4c(N)c(Br)c(C5CCC(CC(=O)O)CC5)nc34)ccnc2c1.Cc1ccc2cc(-c3cnn4c(N)c(Br)c(C5CCC(CC(=O)NS(C)(=O)=O)CC5)nc34)ccc2c1.

What is the InChIKey of 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is LISXKUTUQQZCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN5O3S.C24H24BrN5O2.C20H19BrN6O2S.2C20H22BrN5O3/c1-15-3-6-19-13-20(10-9-18(19)11-15)21-14-29-32-25(28)23(27)24(30-26(21)32)17-7-4-16(5-8-17)12-22(33)31-36(2,34)35;1-13-2-7-17-16(8-9-27-19(17)10-13)18-12-28-30-23(26)21(25)22(29-24(18)30)15-5-3-14(4-6-15)11-20(31)32;1-30(28,29)26-8-6-14(11-26)18-17(21)19(22)27-20(25-18)15(10-24-27)12-4-5-16-13(9-12)3-2-7-23-16;1-29-14-7-13(8-23-9-14)15-10-24-26-19(22)17(21)18(25-20(15)26)12-4-2-11(3-5-12)6-16(27)28;1-29-15-7-6-13(9-23-15)14-10-24-26-19(22)17(21)18(25-20(14)26)12-4-2-11(3-5-12)8-16(27)28/h3,6,9-11,13-14,16-17H,4-5,7-8,12,28H2,1-2H3,(H,31,33);2,7-10,12,14-15H,3-6,11,26H2,1H3,(H,31,32);2-5,7,9-10,14H,6,8,11,22H2,1H3;7-12H,2-6,22H2,1H3,(H,27,28);6-7,9-12H,2-5,8,22H2,1H3,(H,27,28).

What are the key properties of 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2472.95 g/mol, XLogP of 21.11, 22 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-amino-6-bromo-3-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-methylnaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-N-methylsulfonylacetamide;2-[4-[7-amino-6-bromo-3-(7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159362713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).