N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride

C40H45Cl5N10O7S2 — CID 157468064

About N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride

N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 157468064) has the molecular formula C40H45Cl5N10O7S2 and a molecular weight of 1019.26 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

• Compound Name: N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride
• PubChem CID: 157468064
• Molecular Formula: C40H45Cl5N10O7S2
• Molecular Weight: 1019.26 g/mol
• Exact Mass: 1016.14
• IUPAC Name: N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride
• SMILES: CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O.Cc1cn2nc([C@@H]3CCCCN3)cc2nc1Cl.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1Cl.Cl
• InChI: InChI=1S/C20H21Cl2N5O3S.C12H15ClN4.C8H8ClNO4S.ClH/c1-12-11-27-18(23-19(12)22)10-16(24-27)17-5-3-4-8-26(17)20(28)14-9-13(21)6-7-15(14)25-31(2,29)30;1-8-7-17-11(15-12(8)13)6-10(16-17)9-4-2-3-5-14-9;1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12;/h6-7,9-11,17,25H,3-5,8H2,1-2H3;6-7,9,14H,2-5H2,1H3;2-4,10H,1H3,(H,11,12);1H/t17-;9-;;/m00../s1
• InChIKey: IOIZUWHVNSHFQL-KVRKFBEUSA-N
• XLogP: 8.42
• TPSA: 222.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.26
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride?

The IUPAC name of N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride (CID 157468064) is N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride.

What is the SMILES notation for N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride?

The canonical SMILES for N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O.Cc1cn2nc([C@@H]3CCCCN3)cc2nc1Cl.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1Cl.Cl.

What is the InChIKey of N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride?

The InChIKey is IOIZUWHVNSHFQL-KVRKFBEUSA-N. The full InChI is InChI=1S/C20H21Cl2N5O3S.C12H15ClN4.C8H8ClNO4S.ClH/c1-12-11-27-18(23-19(12)22)10-16(24-27)17-5-3-4-8-26(17)20(28)14-9-13(21)6-7-15(14)25-31(2,29)30;1-8-7-17-11(15-12(8)13)6-10(16-17)9-4-2-3-5-14-9;1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12;/h6-7,9-11,17,25H,3-5,8H2,1-2H3;6-7,9,14H,2-5H2,1H3;2-4,10H,1H3,(H,11,12);1H/t17-;9-;;/m00../s1.

What are the key properties of N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride?

N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 1019.26 g/mol, XLogP of 8.42, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;hydrochloride is sourced from PubChem (CID 157468064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).