4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C115H111Br6F5N26O11S2 — CID 162020451

About 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162020451) has the molecular formula C115H111Br6F5N26O11S2 and a molecular weight of 2671.87 g/mol. Its IUPAC name is 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 162020451
• Molecular Formula: C115H111Br6F5N26O11S2
• Molecular Weight: 2671.87 g/mol
• Exact Mass: 2664.34
• IUPAC Name: 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(F)(F)c1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)cc1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnn(Cc4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)NS(=O)(=O)C(F)(F)F)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.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.C24H22BrF3N6O3S.C23H23BrN6O2.C22H23BrF2N4O2.C22H21BrN6O2S/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;25-20-21(14-7-5-13(6-8-14)9-19(35)33-38(36,37)24(26,27)28)32-23-17(12-31-34(23)22(20)29)16-10-15-3-1-2-4-18(15)30-11-16;24-19-20(15-6-8-16(9-7-15)23(31)32)28-22-18(11-27-30(22)21(19)25)17-10-26-29(13-17)12-14-4-2-1-3-5-14;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/h5-8,10-14H,1-4,9,27H2,(H,31,32);1-4,10-14H,5-9,29H2,(H,33,35);1-5,10-11,13,15-16H,6-9,12,25H2,(H,31,32);6-9,11-12,14H,2-5,10,26H2,1H3,(H,30,31);1-4,9-11,14,16H,5-8,12,24H2
• InChIKey: YURIZNFLLIJPMI-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 537.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2671.87
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 162020451) is 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(F)(F)c1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)cc1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnn(Cc4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)NS(=O)(=O)C(F)(F)F)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.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 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is YURIZNFLLIJPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N4O2.C24H22BrF3N6O3S.C23H23BrN6O2.C22H23BrF2N4O2.C22H21BrN6O2S/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;25-20-21(14-7-5-13(6-8-14)9-19(35)33-38(36,37)24(26,27)28)32-23-17(12-31-34(23)22(20)29)16-10-15-3-1-2-4-18(15)30-11-16;24-19-20(15-6-8-16(9-7-15)23(31)32)28-22-18(11-27-30(22)21(19)25)17-10-26-29(13-17)12-14-4-2-1-3-5-14;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/h5-8,10-14H,1-4,9,27H2,(H,31,32);1-4,10-14H,5-9,29H2,(H,33,35);1-5,10-11,13,15-16H,6-9,12,25H2,(H,31,32);6-9,11-12,14H,2-5,10,26H2,1H3,(H,30,31);1-4,9-11,14,16H,5-8,12,24H2.

What are the key properties of 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2671.87 g/mol, XLogP of 24.84, 23 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162020451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).