3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C41H30Br2F2N10O2S2 — CID 157166204

About 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157166204) has the molecular formula C41H30Br2F2N10O2S2 and a molecular weight of 956.70 g/mol. Its IUPAC name is 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157166204
• Molecular Formula: C41H30Br2F2N10O2S2
• Molecular Weight: 956.70 g/mol
• Exact Mass: 954.03
• IUPAC Name: 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.Fc1ccccc1-c1cc(NCc2ccc(-c3csnn3)cc2)n2ncc(Br)c2n1
• InChI: InChI=1S/C21H14BrFN6S.C20H16BrFN4O2S/c22-16-11-25-29-20(9-18(26-21(16)29)15-3-1-2-4-17(15)23)24-10-13-5-7-14(8-6-13)19-12-30-28-27-19;1-29(27,28)14-8-6-13(7-9-14)11-23-19-10-18(15-4-2-3-5-17(15)22)25-20-16(21)12-24-26(19)20/h1-9,11-12,24H,10H2;2-10,12,23H,11H2,1H3
• InChIKey: AMYCVQGGQYQXJN-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 144.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.70
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 157166204) is 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.Fc1ccccc1-c1cc(NCc2ccc(-c3csnn3)cc2)n2ncc(Br)c2n1.

What is the InChIKey of 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is AMYCVQGGQYQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN6S.C20H16BrFN4O2S/c22-16-11-25-29-20(9-18(26-21(16)29)15-3-1-2-4-17(15)23)24-10-13-5-7-14(8-6-13)19-12-30-28-27-19;1-29(27,28)14-8-6-13(7-9-14)11-23-19-10-18(15-4-2-3-5-17(15)22)25-20-16(21)12-24-26(19)20/h1-9,11-12,24H,10H2;2-10,12,23H,11H2,1H3.

What are the key properties of 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 956.70 g/mol, XLogP of 9.74, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157166204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).