N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

C118H140ClF9N28O19S5 — CID 158330540

About N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 158330540) has the molecular formula C118H140ClF9N28O19S5 and a molecular weight of 2621.36 g/mol. Its IUPAC name is N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
• PubChem CID: 158330540
• Molecular Formula: C118H140ClF9N28O19S5
• Molecular Weight: 2621.36 g/mol
• Exact Mass: 2618.90
• IUPAC Name: N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCCCN3)n2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1
• InChI: InChI=1S/C26H33ClN8O3S.3C23H26F3N5O4S.C23H29N5O4S/c1-39(37,38)31-20-9-8-18(27)15-19(20)26(36)33-13-4-2-7-22(33)21-16-24-29-23(32-11-6-12-32)17-25(35(24)30-21)34-14-5-3-10-28-34;3*1-12-5-6-17(29-36(4,34)35)16(9-12)22(33)30-8-7-15(23(24,25)26)10-19(30)18-11-20-27-14(3)13(2)21(32)31(20)28-18;1-13-6-7-18(26-33(5,31)32)17(10-13)23(30)27-9-8-14(2)11-20(27)19-12-21-24-16(4)15(3)22(29)28(21)25-19/h8-9,15-17,22,28,31H,2-7,10-14H2,1H3;3*5-6,9,11,15,19,28-29H,7-8,10H2,1-4H3;6-7,10,12,14,20,25-26H,8-9,11H2,1-5H3/t22-;15-,19+;2*15-,19-;14-,20+/m00101/s1
• InChIKey: YJXLESIULGLFIY-XGGVEBGLSA-N
• XLogP: 16.79
• TPSA: 581.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.36
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

The IUPAC name of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 158330540) is N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

The canonical SMILES for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCCCN3)n2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.

What is the InChIKey of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

The InChIKey is YJXLESIULGLFIY-XGGVEBGLSA-N. The full InChI is InChI=1S/C26H33ClN8O3S.3C23H26F3N5O4S.C23H29N5O4S/c1-39(37,38)31-20-9-8-18(27)15-19(20)26(36)33-13-4-2-7-22(33)21-16-24-29-23(32-11-6-12-32)17-25(35(24)30-21)34-14-5-3-10-28-34;3*1-12-5-6-17(29-36(4,34)35)16(9-12)22(33)30-8-7-15(23(24,25)26)10-19(30)18-11-20-27-14(3)13(2)21(32)31(20)28-18;1-13-6-7-18(26-33(5,31)32)17(10-13)23(30)27-9-8-14(2)11-20(27)19-12-21-24-16(4)15(3)22(29)28(21)25-19/h8-9,15-17,22,28,31H,2-7,10-14H2,1H3;3*5-6,9,11,15,19,28-29H,7-8,10H2,1-4H3;6-7,10,12,14,20,25-26H,8-9,11H2,1-5H3/t22-;15-,19+;2*15-,19-;14-,20+/m00101/s1.

What are the key properties of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 2621.36 g/mol, XLogP of 16.79, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 158330540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).