2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C113H114Br6F2N26O10S3 — CID 158223552

About 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158223552) has the molecular formula C113H114Br6F2N26O10S3 and a molecular weight of 2609.95 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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158223552
• Molecular Formula: C113H114Br6F2N26O10S3
• Molecular Weight: 2609.95 g/mol
• Exact Mass: 2602.34
• IUPAC Name: 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CC(F)(F)c1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)cc1.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4cc(Br)ccc4c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)C3CC3)C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C24H22Br2N4O2.C23H25BrN6O2S.C22H23BrF2N4O2.C22H21BrN6O2S.C22H23BrN6O2S/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;1-14(2)33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(13-27-30)17-11-16-5-3-4-6-19(16)26-12-17;1-22(24,25)15-8-6-13(7-9-15)16-11-27-29-20(26)18(23)19(28-21(16)29)14-4-2-12(3-5-14)10-17(30)31;23-19-20(14-7-8-28(12-14)32(30,31)16-5-6-16)27-22-17(11-26-29(22)21(19)24)15-9-13-3-1-2-4-18(13)25-10-15;1-13(2)32(30,31)28-8-7-15(12-28)20-19(23)21(24)29-22(27-20)17(11-26-29)16-9-14-5-3-4-6-18(14)25-10-16/h5-8,10-14H,1-4,9,27H2,(H,31,32);3-6,11-15H,7-10,25H2,1-2H3;6-9,11-12,14H,2-5,10,26H2,1H3,(H,30,31);1-4,9-11,14,16H,5-8,12,24H2;3-6,9-11,13,15H,7-8,12,24H2,1-2H3
• InChIKey: GDNMXSRMFRYTMM-UHFFFAOYSA-N
• XLogP: 23.60
• TPSA: 506.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2609.95
LogP ≤ 5	23.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158223552) is 2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.CC(C)S(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CC(F)(F)c1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)cc1.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4cc(Br)ccc4c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)C3CC3)C2)nc2c(-c3cnc4ccccc4c3)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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is GDNMXSRMFRYTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N4O2.C23H25BrN6O2S.C22H23BrF2N4O2.C22H21BrN6O2S.C22H23BrN6O2S/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;1-14(2)33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(13-27-30)17-11-16-5-3-4-6-19(16)26-12-17;1-22(24,25)15-8-6-13(7-9-15)16-11-27-29-20(26)18(23)19(28-21(16)29)14-4-2-12(3-5-14)10-17(30)31;23-19-20(14-7-8-28(12-14)32(30,31)16-5-6-16)27-22-17(11-26-29(22)21(19)24)15-9-13-3-1-2-4-18(13)25-10-15;1-13(2)32(30,31)28-8-7-15(12-28)20-19(23)21(24)29-22(27-20)17(11-26-29)16-9-14-5-3-4-6-18(14)25-10-16/h5-8,10-14H,1-4,9,27H2,(H,31,32);3-6,11-15H,7-10,25H2,1-2H3;6-9,11-12,14H,2-5,10,26H2,1H3,(H,30,31);1-4,9-11,14,16H,5-8,12,24H2;3-6,9-11,13,15H,7-8,12,24H2,1-2H3.

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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2609.95 g/mol, XLogP of 23.60, 21 rotatable bonds, 7 hydrogen bond donors, and 31 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-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158223552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).