2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C124H121Br2F2N27O12 — CID 157128337

About 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 157128337) has the molecular formula C124H121Br2F2N27O12 and a molecular weight of 2379.31 g/mol. Its IUPAC name is 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 157128337
• Molecular Formula: C124H121Br2F2N27O12
• Molecular Weight: 2379.31 g/mol
• Exact Mass: 2375.80
• IUPAC Name: 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(-c2cnn(CCO)c2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.CC(=O)c1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12
• InChI: InChI=1S/C26H26FN5O3.C26H27N5O3.C24H23BrFN5O2.C24H24BrN5O2.C24H21N7O2/c1-15(33)21-23(17-9-7-16(8-10-17)22(27)26(34)35)30-25-20(13-29-32(25)24(21)28)18-11-12-31(14-18)19-5-3-2-4-6-19;1-16(32)23-24(18-9-7-17(8-10-18)13-22(33)34)29-26-21(14-28-31(26)25(23)27)19-11-12-30(15-19)20-5-3-2-4-6-20;25-19-21(15-8-6-14(7-9-15)20(26)24(32)33)29-23-18(12-28-31(23)22(19)27)16-10-11-30(13-16)17-4-2-1-3-5-17;25-21-22(16-8-6-15(7-9-16)12-20(31)32)28-24-19(13-27-30(24)23(21)26)17-10-11-29(14-17)18-4-2-1-3-5-18;1-15(33)21-22(18-12-27-30(14-18)9-10-32)29-24-19(13-28-31(24)23(21)25)17-7-8-20(26-11-17)16-5-3-2-4-6-16/h2-6,11-14,16-17,22H,7-10,28H2,1H3,(H,34,35);2-6,11-12,14-15,17-18H,7-10,13,27H2,1H3,(H,33,34);1-5,10-15,20H,6-9,27H2,(H,32,33);1-5,10-11,13-16H,6-9,12,26H2,(H,31,32);2-8,11-14,32H,9-10,25H2,1H3
• InChIKey: AITMSASANWJSMQ-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 552.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.31
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 157128337) is 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(-c2cnn(CCO)c2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.CC(=O)c1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.Nc1c(Br)c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.

What is the InChIKey of 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is AITMSASANWJSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3.C26H27N5O3.C24H23BrFN5O2.C24H24BrN5O2.C24H21N7O2/c1-15(33)21-23(17-9-7-16(8-10-17)22(27)26(34)35)30-25-20(13-29-32(25)24(21)28)18-11-12-31(14-18)19-5-3-2-4-6-19;1-16(32)23-24(18-9-7-17(8-10-18)13-22(33)34)29-26-21(14-28-31(26)25(23)27)19-11-12-30(15-19)20-5-3-2-4-6-20;25-19-21(15-8-6-14(7-9-15)20(26)24(32)33)29-23-18(12-28-31(23)22(19)27)16-10-11-30(13-16)17-4-2-1-3-5-17;25-21-22(16-8-6-15(7-9-16)12-20(31)32)28-24-19(13-27-30(24)23(21)26)17-10-11-29(14-17)18-4-2-1-3-5-18;1-15(33)21-22(18-12-27-30(14-18)9-10-32)29-24-19(13-28-31(24)23(21)25)17-7-8-20(26-11-17)16-5-3-2-4-6-16/h2-6,11-14,16-17,22H,7-10,28H2,1H3,(H,34,35);2-6,11-12,14-15,17-18H,7-10,13,27H2,1H3,(H,33,34);1-5,10-15,20H,6-9,27H2,(H,32,33);1-5,10-11,13-16H,6-9,12,26H2,(H,31,32);2-8,11-14,32H,9-10,25H2,1H3.

What are the key properties of 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2379.31 g/mol, XLogP of 23.00, 28 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 157128337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).