2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine

C123H102Br5N25O7S2 — CID 159534211

About 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159534211) has the molecular formula C123H102Br5N25O7S2 and a molecular weight of 2505.99 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159534211
• Molecular Formula: C123H102Br5N25O7S2
• Molecular Weight: 2505.99 g/mol
• Exact Mass: 2499.38
• IUPAC Name: 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(C#Cc2cccnc2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(C#Cc2ccncc2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)NS(=O)(=O)C3CC3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3cc(Br)c4ncccc4c3)cnn12
• InChI: InChI=1S/C28H26N4O2S.C26H27BrN6O3S.C23H21Br2N5O2.2C23H14BrN5/c29-27-25(22-11-12-35-16-22)26(19-7-5-17(6-8-19)13-24(33)34)31-28-23(15-30-32(27)28)21-10-9-18-3-1-2-4-20(18)14-21;27-23-24(16-7-5-15(6-8-16)11-22(34)32-37(35,36)19-9-10-19)31-26-20(14-30-33(26)25(23)28)18-12-17-3-1-2-4-21(17)29-13-18;24-17-10-15(9-14-2-1-7-27-20(14)17)16-11-28-30-22(26)19(25)21(29-23(16)30)13-5-3-12(4-6-13)8-18(31)32;24-21-20(10-7-15-4-3-11-26-13-15)28-23-19(14-27-29(23)22(21)25)18-9-8-16-5-1-2-6-17(16)12-18;24-21-20(8-5-15-9-11-26-12-10-15)28-23-19(14-27-29(23)22(21)25)18-7-6-16-3-1-2-4-17(16)13-18/h1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34);1-4,12-16,19H,5-11,28H2,(H,32,34);1-2,7,9-13H,3-6,8,26H2,(H,31,32);1-6,8-9,11-14H,25H2;1-4,6-7,9-14H,25H2
• InChIKey: MDJOOXNYPQUXBZ-UHFFFAOYSA-N
• XLogP: 26.35
• TPSA: 470.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.99
LogP ≤ 5	26.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159534211) is 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(C#Cc2cccnc2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(C#Cc2ccncc2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)NS(=O)(=O)C3CC3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCC(CC(=O)O)CC2)nc2c(-c3cc(Br)c4ncccc4c3)cnn12.

What is the InChIKey of 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is MDJOOXNYPQUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2S.C26H27BrN6O3S.C23H21Br2N5O2.2C23H14BrN5/c29-27-25(22-11-12-35-16-22)26(19-7-5-17(6-8-19)13-24(33)34)31-28-23(15-30-32(27)28)21-10-9-18-3-1-2-4-20(18)14-21;27-23-24(16-7-5-15(6-8-16)11-22(34)32-37(35,36)19-9-10-19)31-26-20(14-30-33(26)25(23)28)18-12-17-3-1-2-4-21(17)29-13-18;24-17-10-15(9-14-2-1-7-27-20(14)17)16-11-28-30-22(26)19(25)21(29-23(16)30)13-5-3-12(4-6-13)8-18(31)32;24-21-20(10-7-15-4-3-11-26-13-15)28-23-19(14-27-29(23)22(21)25)18-9-8-16-5-1-2-6-17(16)12-18;24-21-20(8-5-15-9-11-26-12-10-15)28-23-19(14-27-29(23)22(21)25)18-7-6-16-3-1-2-4-17(16)13-18/h1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34);1-4,12-16,19H,5-11,28H2,(H,32,34);1-2,7,9-13H,3-6,8,26H2,(H,31,32);1-6,8-9,11-14H,25H2;1-4,6-7,9-14H,25H2.

What are the key properties of 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine?

2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2505.99 g/mol, XLogP of 26.35, 17 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-amino-6-bromo-3-(8-bromoquinolin-6-yl)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-cyclopropylsulfonylacetamide;2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-3-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159534211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).