N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane

C108H142Cl3F4N25O14S4 — CID 159923340

About N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane (PubChem CID 159923340) has the molecular formula C108H142Cl3F4N25O14S4 and a molecular weight of 2325.10 g/mol. Its IUPAC name is N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane
• PubChem CID: 159923340
• Molecular Formula: C108H142Cl3F4N25O14S4
• Molecular Weight: 2325.10 g/mol
• Exact Mass: 2321.91
• IUPAC Name: N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane
• SMILES: C.C.C.C.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CCCC3)cc(N3CCOCC3)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCOCC3)n2n1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3NS(C)(=O)=O)nn2c(C)c1C.O=C(c1cc(Cl)ccc1NS(=O)(=O)CC(F)(F)F)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCCCC3)n2n1
• InChI: InChI=1S/C28H33ClF3N7O3S.C28H35ClN6O4S.C26H32ClN7O4S.C22H26FN5O3S.4CH4/c29-19-8-9-21(35-43(41,42)18-28(30,31)32)20(15-19)27(40)38-14-5-2-7-23(38)22-16-25-33-24(36-12-6-13-36)17-26(39(25)34-22)37-10-3-1-4-11-37;1-40(37,38)32-22-10-9-20(29)16-21(22)28(36)34-11-5-4-8-25(34)24-17-26-30-23(19-6-2-3-7-19)18-27(35(26)31-24)33-12-14-39-15-13-33;1-39(36,37)30-20-7-6-18(27)15-19(20)26(35)33-10-3-2-5-22(33)21-16-24-28-23(31-8-4-9-31)17-25(34(24)29-21)32-11-13-38-14-12-32;1-13-14(2)24-21-12-19(25-28(21)15(13)3)20-7-5-6-10-27(20)22(29)17-11-16(23)8-9-18(17)26-32(4,30)31;;;;/h8-9,15-17,23,35H,1-7,10-14,18H2;9-10,16-19,25,32H,2-8,11-15H2,1H3;6-7,15-17,22,30H,2-5,8-14H2,1H3;8-9,11-12,20,26H,5-7,10H2,1-4H3;4*1H4/t23-;25-;22-;20-;;;;/m0000..../s1
• InChIKey: NYRSSWVQESUBBM-VEOVKYQHSA-N
• XLogP: 19.12
• TPSA: 421.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.10
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?

The IUPAC name of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane (CID 159923340) is N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane.

What is the SMILES notation for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?

The canonical SMILES for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane is C.C.C.C.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CCCC3)cc(N3CCOCC3)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCOCC3)n2n1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3NS(C)(=O)=O)nn2c(C)c1C.O=C(c1cc(Cl)ccc1NS(=O)(=O)CC(F)(F)F)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCCCC3)n2n1.

What is the InChIKey of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?

The InChIKey is NYRSSWVQESUBBM-VEOVKYQHSA-N. The full InChI is InChI=1S/C28H33ClF3N7O3S.C28H35ClN6O4S.C26H32ClN7O4S.C22H26FN5O3S.4CH4/c29-19-8-9-21(35-43(41,42)18-28(30,31)32)20(15-19)27(40)38-14-5-2-7-23(38)22-16-25-33-24(36-12-6-13-36)17-26(39(25)34-22)37-10-3-1-4-11-37;1-40(37,38)32-22-10-9-20(29)16-21(22)28(36)34-11-5-4-8-25(34)24-17-26-30-23(19-6-2-3-7-19)18-27(35(26)31-24)33-12-14-39-15-13-33;1-39(36,37)30-20-7-6-18(27)15-19(20)26(35)33-10-3-2-5-22(33)21-16-24-28-23(31-8-4-9-31)17-25(34(24)29-21)32-11-13-38-14-12-32;1-13-14(2)24-21-12-19(25-28(21)15(13)3)20-7-5-6-10-27(20)22(29)17-11-16(23)8-9-18(17)26-32(4,30)31;;;;/h8-9,15-17,23,35H,1-7,10-14,18H2;9-10,16-19,25,32H,2-8,11-15H2,1H3;6-7,15-17,22,30H,2-5,8-14H2,1H3;8-9,11-12,20,26H,5-7,10H2,1-4H3;4*1H4/t23-;25-;22-;20-;;;;/m0000..../s1.

What are the key properties of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane has a molecular weight of 2325.10 g/mol, XLogP of 19.12, 23 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopentyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane is sourced from PubChem (CID 159923340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).