2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C107H104Br5N31O6 — CID 158283042

About 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158283042) has the molecular formula C107H104Br5N31O6 and a molecular weight of 2319.74 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158283042
• Molecular Formula: C107H104Br5N31O6
• Molecular Weight: 2319.74 g/mol
• Exact Mass: 2313.47
• IUPAC Name: 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)c1Br.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCN(CC(=O)O)CC4)nc23)c1.Nc1c(Br)c(C2=CCC(c3cn[nH]c3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCC(c3cn[nH]c3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C24H20BrN7.C24H21N7.C22H21BrN6O2.C19H21Br2N5O2.C18H21BrN6O2/c25-21-22(15-7-5-14(6-8-15)18-11-28-29-12-18)31-24-19(13-30-32(24)23(21)26)17-9-16-3-1-2-4-20(16)27-10-17;25-23-10-22(16-7-5-15(6-8-16)19-12-27-28-13-19)30-24-20(14-29-31(23)24)18-9-17-3-1-2-4-21(17)26-11-18;23-19-20(13-5-7-28(8-6-13)12-18(30)31)27-22-16(11-26-29(22)21(19)24)15-9-14-3-1-2-4-17(14)25-10-15;1-25-7-6-12(17(25)21)13-9-23-26-18(22)15(20)16(24-19(13)26)11-4-2-10(3-5-11)8-14(27)28;1-23-5-2-12(9-23)13-8-21-25-17(20)15(19)16(22-18(13)25)11-3-6-24(7-4-11)10-14(26)27/h1-4,7,9-14H,5-6,8,26H2,(H,28,29);1-4,7,9-15H,5-6,8,25H2,(H,27,28);1-4,9-11,13H,5-8,12,24H2,(H,30,31);6-7,9-11H,2-5,8,22H2,1H3,(H,27,28);2,5,8-9,11H,3-4,6-7,10,20H2,1H3,(H,26,27)
• InChIKey: GKKZJDKRIROCAE-UHFFFAOYSA-N
• XLogP: 20.45
• TPSA: 505.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2319.74
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158283042) is 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCC(CC(=O)O)CC4)nc23)c1Br.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCN(CC(=O)O)CC4)nc23)c1.Nc1c(Br)c(C2=CCC(c3cn[nH]c3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCC(c3cn[nH]c3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.

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

The InChIKey is GKKZJDKRIROCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7.C24H21N7.C22H21BrN6O2.C19H21Br2N5O2.C18H21BrN6O2/c25-21-22(15-7-5-14(6-8-15)18-11-28-29-12-18)31-24-19(13-30-32(24)23(21)26)17-9-16-3-1-2-4-20(16)27-10-17;25-23-10-22(16-7-5-15(6-8-16)19-12-27-28-13-19)30-24-20(14-29-31(23)24)18-9-17-3-1-2-4-21(17)26-11-18;23-19-20(13-5-7-28(8-6-13)12-18(30)31)27-22-16(11-26-29(22)21(19)24)15-9-14-3-1-2-4-17(14)25-10-15;1-25-7-6-12(17(25)21)13-9-23-26-18(22)15(20)16(24-19(13)26)11-4-2-10(3-5-11)8-14(27)28;1-23-5-2-12(9-23)13-8-21-25-17(20)15(19)16(22-18(13)25)11-3-6-24(7-4-11)10-14(26)27/h1-4,7,9-14H,5-6,8,26H2,(H,28,29);1-4,7,9-15H,5-6,8,25H2,(H,27,28);1-4,9-11,13H,5-8,12,24H2,(H,30,31);6-7,9-11H,2-5,8,22H2,1H3,(H,27,28);2,5,8-9,11H,3-4,6-7,10,20H2,1H3,(H,26,27).

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

2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2319.74 g/mol, XLogP of 20.45, 18 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158283042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).