1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

C69H45Br4F3N22O8S — CID 162126932

About 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (PubChem CID 162126932) has the molecular formula C69H45Br4F3N22O8S and a molecular weight of 1718.94 g/mol. Its IUPAC name is 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.

Molecular Properties

• Compound Name: 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
• PubChem CID: 162126932
• Molecular Formula: C69H45Br4F3N22O8S
• Molecular Weight: 1718.94 g/mol
• Exact Mass: 1714.02
• IUPAC Name: 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
• SMILES: O=C(Nc1cc(-c2ccccc2F)nc2c(Br)cnn12)Oc1cccnc1.O=C(Nc1cc(-c2ccco2)nc2c(Br)cnn12)Oc1cccnc1.O=C(Nc1ccncc1)Nc1cc(-c2ccccc2F)nc2c(Br)cnn12.O=S(=O)(Nc1ccncc1)Nc1cc(-c2ccccc2F)nc2c(Br)cnn12
• InChI: InChI=1S/C18H12BrFN6O.C18H11BrFN5O2.C17H12BrFN6O2S.C16H10BrN5O3/c19-13-10-22-26-16(25-18(27)23-11-5-7-21-8-6-11)9-15(24-17(13)26)12-3-1-2-4-14(12)20;19-13-10-22-25-16(24-18(26)27-11-4-3-7-21-9-11)8-15(23-17(13)25)12-5-1-2-6-14(12)20;18-13-10-21-25-16(24-28(26,27)23-11-5-7-20-8-6-11)9-15(22-17(13)25)12-3-1-2-4-14(12)19;17-11-9-19-22-14(21-16(23)25-10-3-1-5-18-8-10)7-12(20-15(11)22)13-4-2-6-24-13/h1-10H,(H2,21,23,25,27);1-10H,(H,24,26);1-10,24H,(H,20,23);1-9H,(H,21,23)
• InChIKey: ZIDSBMVQHWEUDL-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 361.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1718.94
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?

The IUPAC name of 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (CID 162126932) is 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.

What is the SMILES notation for 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?

The canonical SMILES for 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is O=C(Nc1cc(-c2ccccc2F)nc2c(Br)cnn12)Oc1cccnc1.O=C(Nc1cc(-c2ccco2)nc2c(Br)cnn12)Oc1cccnc1.O=C(Nc1ccncc1)Nc1cc(-c2ccccc2F)nc2c(Br)cnn12.O=S(=O)(Nc1ccncc1)Nc1cc(-c2ccccc2F)nc2c(Br)cnn12.

What is the InChIKey of 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?

The InChIKey is ZIDSBMVQHWEUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN6O.C18H11BrFN5O2.C17H12BrFN6O2S.C16H10BrN5O3/c19-13-10-22-26-16(25-18(27)23-11-5-7-21-8-6-11)9-15(24-17(13)26)12-3-1-2-4-14(12)20;19-13-10-22-25-16(24-18(26)27-11-4-3-7-21-9-11)8-15(23-17(13)25)12-5-1-2-6-14(12)20;18-13-10-21-25-16(24-28(26,27)23-11-5-7-20-8-6-11)9-15(22-17(13)25)12-3-1-2-4-14(12)19;17-11-9-19-22-14(21-16(23)25-10-3-1-5-18-8-10)7-12(20-15(11)22)13-4-2-6-24-13/h1-10H,(H2,21,23,25,27);1-10H,(H,24,26);1-10,24H,(H,20,23);1-9H,(H,21,23).

What are the key properties of 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?

1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate has a molecular weight of 1718.94 g/mol, XLogP of 15.86, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is sourced from PubChem (CID 162126932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).