N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine

C46H58N12O7S2 — CID 162109209

About N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine

N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 162109209) has the molecular formula C46H58N12O7S2 and a molecular weight of 955.18 g/mol. Its IUPAC name is N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
• PubChem CID: 162109209
• Molecular Formula: C46H58N12O7S2
• Molecular Weight: 955.18 g/mol
• Exact Mass: 954.40
• IUPAC Name: N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
• SMILES: CS(=O)(=O)Nc1ccc(N)cc1C(=O)O.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(N)ccc3NS(C)(=O)=O)nn12
• InChI: InChI=1S/C23H28N6O3S.C15H20N4.C8H10N2O4S/c1-14-11-19(15-6-7-15)25-22-13-20(26-29(14)22)21-5-3-4-10-28(21)23(30)17-12-16(24)8-9-18(17)27-33(2,31)32;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h8-9,11-13,15,21,27H,3-7,10,24H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;2-4,10H,9H2,1H3,(H,11,12)/t21-;12-;/m00./s1
• InChIKey: ZFXRFRNYGBJQNO-XSDXBZSRSA-N
• XLogP: 6.30
• TPSA: 274.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	955.18
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

The IUPAC name of N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 162109209) is N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)Nc1ccc(N)cc1C(=O)O.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(N)ccc3NS(C)(=O)=O)nn12.

What is the InChIKey of N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

The InChIKey is ZFXRFRNYGBJQNO-XSDXBZSRSA-N. The full InChI is InChI=1S/C23H28N6O3S.C15H20N4.C8H10N2O4S/c1-14-11-19(15-6-7-15)25-22-13-20(26-29(14)22)21-5-3-4-10-28(21)23(30)17-12-16(24)8-9-18(17)27-33(2,31)32;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h8-9,11-13,15,21,27H,3-7,10,24H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;2-4,10H,9H2,1H3,(H,11,12)/t21-;12-;/m00./s1.

What are the key properties of N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 955.18 g/mol, XLogP of 6.30, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-amino-2-(methanesulfonamido)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162109209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).