2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C102H100ClF9N20O8S3 — CID 159651462

About 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 159651462) has the molecular formula C102H100ClF9N20O8S3 and a molecular weight of 2036.69 g/mol. Its IUPAC name is 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

• Compound Name: 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
• PubChem CID: 159651462
• Molecular Formula: C102H100ClF9N20O8S3
• Molecular Weight: 2036.69 g/mol
• Exact Mass: 2034.67
• IUPAC Name: 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
• SMILES: CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cccn3C)n2n1.CCCCS(=O)c1nc2nc(-c3ccc(OC)cc3)cc(-c3ccccc3)n2n1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC(C)CC(C)C4)cc3n2)cc1.O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1.O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCCCC1
• InChI: InChI=1S/C22H23F3N4O2.C22H24N4O2S.C22H22N4O2S.C19H16ClF3N4O.C17H15F3N4OS/c1-13-8-14(2)12-28(11-13)21(30)18-10-20-26-17(15-4-6-16(31-3)7-5-15)9-19(22(23,24)25)29(20)27-18;1-4-5-13-29(27)22-15-21-23-18(16-8-10-17(28-3)11-9-16)14-20(26(21)24-22)19-7-6-12-25(19)2;1-3-4-14-29(27)22-24-21-23-19(16-10-12-18(28-2)13-11-16)15-20(26(21)25-22)17-8-6-5-7-9-17;20-13-6-4-12(5-7-13)14-10-16(19(21,22)23)27-17(24-14)11-15(25-27)18(28)26-8-2-1-3-9-26;18-17(19,20)14-9-11(13-5-4-8-26-13)21-15-10-12(22-24(14)15)16(25)23-6-2-1-3-7-23/h4-7,9-10,13-14H,8,11-12H2,1-3H3;6-12,14-15H,4-5,13H2,1-3H3;5-13,15H,3-4,14H2,1-2H3;4-7,10-11H,1-3,8-9H2;4-5,8-10H,1-3,6-7H2
• InChIKey: MRPWDLOQZHMXQR-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 291.53 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2036.69
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?

The IUPAC name of 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 159651462) is 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

What is the SMILES notation for 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?

The canonical SMILES for 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cccn3C)n2n1.CCCCS(=O)c1nc2nc(-c3ccc(OC)cc3)cc(-c3ccccc3)n2n1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC(C)CC(C)C4)cc3n2)cc1.O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1.O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCCCC1.

What is the InChIKey of 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?

The InChIKey is MRPWDLOQZHMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2.C22H24N4O2S.C22H22N4O2S.C19H16ClF3N4O.C17H15F3N4OS/c1-13-8-14(2)12-28(11-13)21(30)18-10-20-26-17(15-4-6-16(31-3)7-5-15)9-19(22(23,24)25)29(20)27-18;1-4-5-13-29(27)22-15-21-23-18(16-8-10-17(28-3)11-9-16)14-20(26(21)24-22)19-7-6-12-25(19)2;1-3-4-14-29(27)22-24-21-23-19(16-10-12-18(28-2)13-11-16)15-20(26(21)25-22)17-8-6-5-7-9-17;20-13-6-4-12(5-7-13)14-10-16(19(21,22)23)27-17(24-14)11-15(25-27)18(28)26-8-2-1-3-9-26;18-17(19,20)14-9-11(13-5-4-8-26-13)21-15-10-12(22-24(14)15)16(25)23-6-2-1-3-7-23/h4-7,9-10,13-14H,8,11-12H2,1-3H3;6-12,14-15H,4-5,13H2,1-3H3;5-13,15H,3-4,14H2,1-2H3;4-7,10-11H,1-3,8-9H2;4-5,8-10H,1-3,6-7H2.

What are the key properties of 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?

2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 2036.69 g/mol, XLogP of 22.03, 21 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 159651462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).