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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C106H104Br5N31O8S2 — CID 160953549

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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160953549) has the molecular formula C106H104Br5N31O8S2 and a molecular weight of 2403.86 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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160953549
• Molecular Formula: C106H104Br5N31O8S2
• Molecular Weight: 2403.86 g/mol
• Exact Mass: 2397.40
• 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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)N1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.CS(=O)(=O)N1CCCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4cc(Br)ccc4c3)cnn12.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCC(CC(=O)O)CC2)nc2c(-c3cccnc3)cnn12
• InChI: InChI=1S/C24H22Br2N4O2.C23H22BrN9.C21H21BrN6O2S.C20H20N6O2S.C18H19BrN6O2/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;24-20-21(14-7-5-13(6-8-14)9-19-29-31-32-30-19)28-23-17(12-27-33(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;1-31(29,30)27-8-4-6-14(12-27)19-18(22)20(23)28-21(26-19)16(11-25-28)15-9-13-5-2-3-7-17(13)24-10-15;1-29(27,28)25-7-6-14(12-25)18-9-19(21)26-20(24-18)16(11-23-26)15-8-13-4-2-3-5-17(13)22-10-15;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/h5-8,10-14H,1-4,9,27H2,(H,31,32);1-4,10-14H,5-9,25H2,(H,29,30,31,32);2-3,5,7,9-11,14H,4,6,8,12,23H2,1H3;2-5,8-11,14H,6-7,12,21H2,1H3;1-2,5,9-11H,3-4,6-8,20H2,(H,26,27)
• InChIKey: SWBSGYMTSOXONL-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 539.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.86
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160953549) 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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)N1CCC(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.CS(=O)(=O)N1CCCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4cc(Br)ccc4c3)cnn12.Nc1c(Br)c(C2CCC(Cc3nn[nH]n3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is SWBSGYMTSOXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N4O2.C23H22BrN9.C21H21BrN6O2S.C20H20N6O2S.C18H19BrN6O2/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;24-20-21(14-7-5-13(6-8-14)9-19-29-31-32-30-19)28-23-17(12-27-33(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;1-31(29,30)27-8-4-6-14(12-27)19-18(22)20(23)28-21(26-19)16(11-25-28)15-9-13-5-2-3-7-17(13)24-10-15;1-29(27,28)25-7-6-14(12-25)18-9-19(21)26-20(24-18)16(11-23-26)15-8-13-4-2-3-5-17(13)22-10-15;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/h5-8,10-14H,1-4,9,27H2,(H,31,32);1-4,10-14H,5-9,25H2,(H,29,30,31,32);2-3,5,7,9-11,14H,4,6,8,12,23H2,1H3;2-5,8-11,14H,6-7,12,21H2,1H3;1-2,5,9-11H,3-4,6-8,20H2,(H,26,27).

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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2403.86 g/mol, XLogP of 19.25, 18 rotatable bonds, 8 hydrogen bond donors, and 34 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;6-bromo-5-(1-methylsulfonylpiperidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160953549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).