N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C46H62N12O7S2 — CID 158808316

About N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158808316) has the molecular formula C46H62N12O7S2 and a molecular weight of 959.21 g/mol. Its IUPAC name is N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158808316
• Molecular Formula: C46H62N12O7S2
• Molecular Weight: 959.21 g/mol
• Exact Mass: 958.43
• IUPAC Name: N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)Nc1ccccc1C(=O)O.Cc1nc2cc([C@@H]3CCCCN3)nn2c(N(C)C)c1C.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(N(C)C)c1C
• InChI: InChI=1S/C23H30N6O3S.C15H23N5.C8H9NO4S/c1-15-16(2)24-21-14-19(25-29(21)22(15)27(3)4)20-12-8-9-13-28(20)23(30)17-10-6-7-11-18(17)26-33(5,31)32;1-10-11(2)17-14-9-13(12-7-5-6-8-16-12)18-20(14)15(10)19(3)4;1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h6-7,10-11,14,20,26H,8-9,12-13H2,1-5H3;9,12,16H,5-8H2,1-4H3;2-5,9H,1H3,(H,10,11)/t20-;12-;/m00./s1
• InChIKey: IUJAOOMDJWZERW-DSHWMIDTSA-N
• XLogP: 6.13
• TPSA: 228.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.21
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158808316) is N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)Nc1ccccc1C(=O)O.Cc1nc2cc([C@@H]3CCCCN3)nn2c(N(C)C)c1C.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(N(C)C)c1C.

What is the InChIKey of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is IUJAOOMDJWZERW-DSHWMIDTSA-N. The full InChI is InChI=1S/C23H30N6O3S.C15H23N5.C8H9NO4S/c1-15-16(2)24-21-14-19(25-29(21)22(15)27(3)4)20-12-8-9-13-28(20)23(30)17-10-6-7-11-18(17)26-33(5,31)32;1-10-11(2)17-14-9-13(12-7-5-6-8-16-12)18-20(14)15(10)19(3)4;1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h6-7,10-11,14,20,26H,8-9,12-13H2,1-5H3;9,12,16H,5-8H2,1-4H3;2-5,9H,1H3,(H,10,11)/t20-;12-;/m00./s1.

What are the key properties of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 959.21 g/mol, XLogP of 6.13, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-(methanesulfonamido)benzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158808316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).