N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C103H127Cl2F4N27O11S3 — CID 159791558

About N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 159791558) has the molecular formula C103H127Cl2F4N27O11S3 and a molecular weight of 2162.43 g/mol. Its IUPAC name is N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
• PubChem CID: 159791558
• Molecular Formula: C103H127Cl2F4N27O11S3
• Molecular Weight: 2162.43 g/mol
• Exact Mass: 2159.87
• IUPAC Name: N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
• SMILES: CC1CN(c2cc(N3CC(O)C3)n3nc([C@@H]4CCCCN4C(=O)c4ccccc4C(F)(F)F)cc3n2)C1.CCN1CCN(c2cc(N3CCC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.CN1CCN(c2cc(N3CCC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3NS(C)(=O)=O)nn2c(C)c1C
• InChI: InChI=1S/C28H37ClN8O3S.C27H35ClN8O3S.C26H29F3N6O2.C22H26FN5O3S/c1-3-33-13-15-35(16-14-33)27-19-25(34-10-6-11-34)30-26-18-23(31-37(26)27)24-7-4-5-12-36(24)28(38)21-17-20(29)8-9-22(21)32-41(2,39)40;1-32-12-14-34(15-13-32)26-18-24(33-9-5-10-33)29-25-17-22(30-36(25)26)23-6-3-4-11-35(23)27(37)20-16-19(28)7-8-21(20)31-40(2,38)39;1-16-12-32(13-16)22-11-24(33-14-17(36)15-33)35-23(30-22)10-20(31-35)21-8-4-5-9-34(21)25(37)18-6-2-3-7-19(18)26(27,28)29;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/h8-9,17-19,24,32H,3-7,10-16H2,1-2H3;7-8,16-18,23,31H,3-6,9-15H2,1-2H3;2-3,6-7,10-11,16-17,21,36H,4-5,8-9,12-15H2,1H3;8-9,11-12,20,26H,5-7,10H2,1-4H3/t24-;23-;21-;20-/m0000/s1
• InChIKey: NIPWESDBLXIFGH-AOIPBVKASA-N
• XLogP: 13.84
• TPSA: 386.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.43
LogP ≤ 5	13.84
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-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?

The IUPAC name of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 159791558) is N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?

The canonical SMILES for N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CC1CN(c2cc(N3CC(O)C3)n3nc([C@@H]4CCCCN4C(=O)c4ccccc4C(F)(F)F)cc3n2)C1.CCN1CCN(c2cc(N3CCC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.CN1CCN(c2cc(N3CCC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3NS(C)(=O)=O)nn2c(C)c1C.

What is the InChIKey of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?

The InChIKey is NIPWESDBLXIFGH-AOIPBVKASA-N. The full InChI is InChI=1S/C28H37ClN8O3S.C27H35ClN8O3S.C26H29F3N6O2.C22H26FN5O3S/c1-3-33-13-15-35(16-14-33)27-19-25(34-10-6-11-34)30-26-18-23(31-37(26)27)24-7-4-5-12-36(24)28(38)21-17-20(29)8-9-22(21)32-41(2,39)40;1-32-12-14-34(15-13-32)26-18-24(33-9-5-10-33)29-25-17-22(30-36(25)26)23-6-3-4-11-35(23)27(37)20-16-19(28)7-8-21(20)31-40(2,38)39;1-16-12-32(13-16)22-11-24(33-14-17(36)15-33)35-23(30-22)10-20(31-35)21-8-4-5-9-34(21)25(37)18-6-2-3-7-19(18)26(27,28)29;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/h8-9,17-19,24,32H,3-7,10-16H2,1-2H3;7-8,16-18,23,31H,3-6,9-15H2,1-2H3;2-3,6-7,10-11,16-17,21,36H,4-5,8-9,12-15H2,1H3;8-9,11-12,20,26H,5-7,10H2,1-4H3/t24-;23-;21-;20-/m0000/s1.

What are the key properties of N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 2162.43 g/mol, XLogP of 13.84, 21 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-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-fluoro-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 159791558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).