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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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

C104H130Cl2F3N27O11S3 — CID 158210278

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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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 158210278) has the molecular formula C104H130Cl2F3N27O11S3 and a molecular weight of 2158.46 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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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: 158210278
• Molecular Formula: C104H130Cl2F3N27O11S3
• Molecular Weight: 2158.46 g/mol
• Exact Mass: 2155.89
• 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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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.CC1CN(c2cc(N3CCN(C)CC3)n3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cc3n2)C1.CCN1CCN(c2cc(N3CCC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(C)n3n2)c1
• InChI: InChI=1S/2C28H37ClN8O3S.C26H29F3N6O2.C22H27N5O3S/c1-19-17-35(18-19)25-16-27(34-12-10-33(2)11-13-34)37-26(30-25)15-23(31-37)24-6-4-5-9-36(24)28(38)21-14-20(29)7-8-22(21)32-41(3,39)40;1-3-33-13-15-35(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;1-16-12-32(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;1-14-8-9-18(25-31(4,29)30)17(11-14)22(28)26-10-6-5-7-20(26)19-13-21-23-15(2)12-16(3)27(21)24-19/h7-8,14-16,19,24,32H,4-6,9-13,17-18H2,1-3H3;8-9,17-19,24,32H,3-7,10-16H2,1-2H3;2-3,6-7,10-11,16-17,21,36H,4-5,8-9,12-15H2,1H3;8-9,11-13,20,25H,5-7,10H2,1-4H3/t2*24-;21-;20-/m0000/s1
• InChIKey: GBZJRUYPXIVDIZ-VGADXDAJSA-N
• XLogP: 13.95
• 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	2158.46
LogP ≤ 5	13.95
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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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 158210278) 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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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.CC1CN(c2cc(N3CCN(C)CC3)n3nc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)cc3n2)C1.CCN1CCN(c2cc(N3CCC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(C)n3n2)c1.

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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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 GBZJRUYPXIVDIZ-VGADXDAJSA-N. The full InChI is InChI=1S/2C28H37ClN8O3S.C26H29F3N6O2.C22H27N5O3S/c1-19-17-35(18-19)25-16-27(34-12-10-33(2)11-13-34)37-26(30-25)15-23(31-37)24-6-4-5-9-36(24)28(38)21-14-20(29)7-8-22(21)32-41(3,39)40;1-3-33-13-15-35(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;1-16-12-32(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;1-14-8-9-18(25-31(4,29)30)17(11-14)22(28)26-10-6-5-7-20(26)19-13-21-23-15(2)12-16(3)27(21)24-19/h7-8,14-16,19,24,32H,4-6,9-13,17-18H2,1-3H3;8-9,17-19,24,32H,3-7,10-16H2,1-2H3;2-3,6-7,10-11,16-17,21,36H,4-5,8-9,12-15H2,1H3;8-9,11-13,20,25H,5-7,10H2,1-4H3/t2*24-;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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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 2158.46 g/mol, XLogP of 13.95, 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-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]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 158210278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).