5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid

C51H64N10O7S2 — CID 159236909

About 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid

5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid (PubChem CID 159236909) has the molecular formula C51H64N10O7S2 and a molecular weight of 993.27 g/mol. Its IUPAC name is 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid.

Molecular Properties

• Compound Name: 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid
• PubChem CID: 159236909
• Molecular Formula: C51H64N10O7S2
• Molecular Weight: 993.27 g/mol
• Exact Mass: 992.44
• IUPAC Name: 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid
• SMILES: CCc1ccc(NS(C)(=O)=O)c(C(=O)O)c1.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1ccc(N2CCCS2(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c1
• InChI: InChI=1S/C26H31N5O3S.C15H20N4.C10H13NO4S/c1-17-7-10-23(30-12-5-13-35(30,33)34)20(14-17)26(32)29-11-4-3-6-24(29)22-16-25-27-21(19-8-9-19)15-18(2)31(25)28-22;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-3-7-4-5-9(11-16(2,14)15)8(6-7)10(12)13/h7,10,14-16,19,24H,3-6,8-9,11-13H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;4-6,11H,3H2,1-2H3,(H,12,13)/t24-;12-;/m00./s1
• InChIKey: KTPAPXWJJUDWAQ-VMKFKLTCSA-N
• XLogP: 8.18
• TPSA: 213.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	993.27
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid?

The IUPAC name of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid (CID 159236909) is 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid.

What is the SMILES notation for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid?

The canonical SMILES for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid is CCc1ccc(NS(C)(=O)=O)c(C(=O)O)c1.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1ccc(N2CCCS2(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c1.

What is the InChIKey of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid?

The InChIKey is KTPAPXWJJUDWAQ-VMKFKLTCSA-N. The full InChI is InChI=1S/C26H31N5O3S.C15H20N4.C10H13NO4S/c1-17-7-10-23(30-12-5-13-35(30,33)34)20(14-17)26(32)29-11-4-3-6-24(29)22-16-25-27-21(19-8-9-19)15-18(2)31(25)28-22;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-3-7-4-5-9(11-16(2,14)15)8(6-7)10(12)13/h7,10,14-16,19,24H,3-6,8-9,11-13H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;4-6,11H,3H2,1-2H3,(H,12,13)/t24-;12-;/m00./s1.

What are the key properties of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid?

5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid has a molecular weight of 993.27 g/mol, XLogP of 8.18, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 159236909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).