N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide

C107H132Cl4N28O18S4 — CID 158259780

About N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide

N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 158259780) has the molecular formula C107H132Cl4N28O18S4 and a molecular weight of 2368.49 g/mol. Its IUPAC name is N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
• PubChem CID: 158259780
• Molecular Formula: C107H132Cl4N28O18S4
• Molecular Weight: 2368.49 g/mol
• Exact Mass: 2364.79
• IUPAC Name: N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
• SMILES: CC1CN(c2cc(N3CCOCC3)n3nc([C@@H]4CC[C@H](C)CN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cc3n2)C1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCCN3)n2n1.C[C@H]1CC[C@@H](c2cc3nc(N4CCC4)cc(N4CCOCC4)n3n2)N(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC(OC(=O)CCC(=O)O)C1
• InChI: InChI=1S/C28H36ClN7O4S.C27H34ClN7O4S.C27H31ClN6O7S.C25H31ClN8O3S/c1-18-4-7-24(35(17-18)28(37)21-12-20(29)5-6-22(21)32-41(3,38)39)23-13-26-30-25(34-15-19(2)16-34)14-27(36(26)31-23)33-8-10-40-11-9-33;1-18-4-7-23(34(17-18)27(36)20-14-19(28)5-6-21(20)31-40(2,37)38)22-15-25-29-24(32-8-3-9-32)16-26(35(25)30-22)33-10-12-39-13-11-33;1-16-13-34-23(29-26(16)32-14-18(15-32)41-25(37)9-8-24(35)36)12-21(30-34)22-5-3-4-10-33(22)27(38)19-11-17(28)6-7-20(19)31-42(2,39)40;1-38(36,37)30-19-8-7-17(26)14-18(19)25(35)32-12-3-2-6-21(32)20-15-23-28-22(31-10-5-11-31)16-24(34(23)29-20)33-13-4-9-27-33/h5-6,12-14,18-19,24,32H,4,7-11,15-17H2,1-3H3;5-6,14-16,18,23,31H,3-4,7-13,17H2,1-2H3;6-7,11-13,18,22,31H,3-5,8-10,14-15H2,1-2H3,(H,35,36);7-8,14-16,21,27,30H,2-6,9-13H2,1H3/t18-,24-;18-,23-;22-;21-/m0000/s1
• InChIKey: GHSVGTRRZAGUQT-WIOWGXSLSA-N
• XLogP: 13.15
• TPSA: 503.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.49
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 158259780) is N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide is CC1CN(c2cc(N3CCOCC3)n3nc([C@@H]4CC[C@H](C)CN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cc3n2)C1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCCN3)n2n1.C[C@H]1CC[C@@H](c2cc3nc(N4CCC4)cc(N4CCOCC4)n3n2)N(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC(OC(=O)CCC(=O)O)C1.

What is the InChIKey of N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide?

The InChIKey is GHSVGTRRZAGUQT-WIOWGXSLSA-N. The full InChI is InChI=1S/C28H36ClN7O4S.C27H34ClN7O4S.C27H31ClN6O7S.C25H31ClN8O3S/c1-18-4-7-24(35(17-18)28(37)21-12-20(29)5-6-22(21)32-41(3,38)39)23-13-26-30-25(34-15-19(2)16-34)14-27(36(26)31-23)33-8-10-40-11-9-33;1-18-4-7-23(34(17-18)27(36)20-14-19(28)5-6-21(20)31-40(2,37)38)22-15-25-29-24(32-8-3-9-32)16-26(35(25)30-22)33-10-12-39-13-11-33;1-16-13-34-23(29-26(16)32-14-18(15-32)41-25(37)9-8-24(35)36)12-21(30-34)22-5-3-4-10-33(22)27(38)19-11-17(28)6-7-20(19)31-42(2,39)40;1-38(36,37)30-19-8-7-17(26)14-18(19)25(35)32-12-3-2-6-21(32)20-15-23-28-22(31-10-5-11-31)16-24(34(23)29-20)33-13-4-9-27-33/h5-6,12-14,18-19,24,32H,4,7-11,15-17H2,1-3H3;5-6,14-16,18,23,31H,3-4,7-13,17H2,1-2H3;6-7,11-13,18,22,31H,3-5,8-10,14-15H2,1-2H3,(H,35,36);7-8,14-16,21,27,30H,2-6,9-13H2,1H3/t18-,24-;18-,23-;22-;21-/m0000/s1.

What are the key properties of N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide?

N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 2368.49 g/mol, XLogP of 13.15, 27 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S,5S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-pyrazolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;4-[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl]oxy-4-oxobutanoic acid;N-[4-chloro-2-[(2S,5S)-5-methyl-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 158259780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).