5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid

C44H56N10O7S4 — CID 159410895

About 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid

5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid (PubChem CID 159410895) has the molecular formula C44H56N10O7S4 and a molecular weight of 965.26 g/mol. Its IUPAC name is 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
• PubChem CID: 159410895
• Molecular Formula: C44H56N10O7S4
• Molecular Weight: 965.26 g/mol
• Exact Mass: 964.32
• IUPAC Name: 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid
• SMILES: Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)s1.Cc1cc(NS(C)(=O)=O)c(C(=O)O)s1
• InChI: InChI=1S/C22H27N5O3S2.C15H20N4.C7H9NO4S2/c1-13-10-16(15-7-8-15)23-20-12-17(24-27(13)20)19-6-4-5-9-26(19)22(28)21-18(11-14(2)31-21)25-32(3,29)30;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-4-3-5(8-14(2,11)12)6(13-4)7(9)10/h10-12,15,19,25H,4-9H2,1-3H3;8-9,11-12,16H,2-7H2,1H3;3,8H,1-2H3,(H,9,10)/t19-;12-;/m00./s1
• InChIKey: LOOHPUWTQYPTSW-XEMAHLBNSA-N
• XLogP: 7.88
• TPSA: 222.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.26
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?

The IUPAC name of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid (CID 159410895) is 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid.

What is the SMILES notation for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?

The canonical SMILES for 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid is Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)s1.Cc1cc(NS(C)(=O)=O)c(C(=O)O)s1.

What is the InChIKey of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?

The InChIKey is LOOHPUWTQYPTSW-XEMAHLBNSA-N. The full InChI is InChI=1S/C22H27N5O3S2.C15H20N4.C7H9NO4S2/c1-13-10-16(15-7-8-15)23-20-12-17(24-27(13)20)19-6-4-5-9-26(19)22(28)21-18(11-14(2)31-21)25-32(3,29)30;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-4-3-5(8-14(2,11)12)6(13-4)7(9)10/h10-12,15,19,25H,4-9H2,1-3H3;8-9,11-12,16H,2-7H2,1H3;3,8H,1-2H3,(H,9,10)/t19-;12-;/m00./s1.

What are the key properties of 5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid?

5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid has a molecular weight of 965.26 g/mol, XLogP of 7.88, 10 rotatable bonds, 4 hydrogen bond donors, and 15 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;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylthiophen-3-yl]methanesulfonamide;3-(methanesulfonamido)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 159410895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).