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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane

C53H68N10O7S2 — CID 157317994

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane (PubChem CID 157317994) has the molecular formula C53H68N10O7S2 and a molecular weight of 1021.32 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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane.

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane
• PubChem CID: 157317994
• Molecular Formula: C53H68N10O7S2
• Molecular Weight: 1021.32 g/mol
• Exact Mass: 1020.47
• 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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane
• SMILES: C.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1ccc(N2CCCS2(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c1.Cc1ccc(N2CCCS2(=O)=O)c(C(=O)O)c1
• InChI: InChI=1S/C26H31N5O3S.C15H20N4.C11H13NO4S.CH4/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;1-8-3-4-10(9(7-8)11(13)14)12-5-2-6-17(12,15)16;/h7,10,14-16,19,24H,3-6,8-9,11-13H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;3-4,7H,2,5-6H2,1H3,(H,13,14);1H4/t24-;12-;;/m00../s1
• InChIKey: BDVHEKSUJYAMFB-XADGDZRJSA-N
• XLogP: 8.73
• TPSA: 204.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.32
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	2
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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane?

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane (CID 157317994) 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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane.

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane?

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane is C.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1ccc(N2CCCS2(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c1.Cc1ccc(N2CCCS2(=O)=O)c(C(=O)O)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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane?

The InChIKey is BDVHEKSUJYAMFB-XADGDZRJSA-N. The full InChI is InChI=1S/C26H31N5O3S.C15H20N4.C11H13NO4S.CH4/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;1-8-3-4-10(9(7-8)11(13)14)12-5-2-6-17(12,15)16;/h7,10,14-16,19,24H,3-6,8-9,11-13H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;3-4,7H,2,5-6H2,1H3,(H,13,14);1H4/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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane?

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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane has a molecular weight of 1021.32 g/mol, XLogP of 8.73, 8 rotatable bonds, 2 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;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane is sourced from PubChem (CID 157317994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).