2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C90H105ClN30O8S4 — CID 158914104

About 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158914104) has the molecular formula C90H105ClN30O8S4 and a molecular weight of 1898.75 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158914104
• Molecular Formula: C90H105ClN30O8S4
• Molecular Weight: 1898.75 g/mol
• Exact Mass: 1896.73
• IUPAC Name: 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CN(C)S(=O)(=O)c1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)ccc1Cl.CN(C)S(=O)(=O)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(S(C)(=O)=O)cc4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccc(S(C)(=O)=O)c4)cc(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C23H27ClN8O2S.C23H28N8O2S.2C22H25N7O2S/c1-30(2)35(33,34)21-9-17(6-7-19(21)24)28-22-10-20(15-5-4-8-25-11-15)29-23-18(13-27-32(22)23)16-12-26-31(3)14-16;1-29(2)34(32,33)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17;1-28-14-16(12-24-28)19-13-25-29-21(26-17-6-3-7-18(9-17)32(2,30)31)10-20(27-22(19)29)15-5-4-8-23-11-15;1-28-14-16(12-24-28)19-13-25-29-21(26-17-5-7-18(8-6-17)32(2,30)31)10-20(27-22(19)29)15-4-3-9-23-11-15/h6-7,9-10,12-15,25,28H,4-5,8,11H2,1-3H3;4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3;3,6-7,9-10,12-15,23,26H,4-5,8,11H2,1-2H3;5-8,10,12-15,23,26H,3-4,9,11H2,1-2H3
• InChIKey: JGZXKMSIBULCRT-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 431.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.75
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158914104) is 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN(C)S(=O)(=O)c1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)ccc1Cl.CN(C)S(=O)(=O)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(S(C)(=O)=O)cc4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccc(S(C)(=O)=O)c4)cc(C4CCCNC4)nc23)cn1.

What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JGZXKMSIBULCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN8O2S.C23H28N8O2S.2C22H25N7O2S/c1-30(2)35(33,34)21-9-17(6-7-19(21)24)28-22-10-20(15-5-4-8-25-11-15)29-23-18(13-27-32(22)23)16-12-26-31(3)14-16;1-29(2)34(32,33)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17;1-28-14-16(12-24-28)19-13-25-29-21(26-17-6-3-7-18(9-17)32(2,30)31)10-20(27-22(19)29)15-5-4-8-23-11-15;1-28-14-16(12-24-28)19-13-25-29-21(26-17-5-7-18(8-6-17)32(2,30)31)10-20(27-22(19)29)15-4-3-9-23-11-15/h6-7,9-10,12-15,25,28H,4-5,8,11H2,1-3H3;4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3;3,6-7,9-10,12-15,23,26H,4-5,8,11H2,1-2H3;5-8,10,12-15,23,26H,3-4,9,11H2,1-2H3.

What are the key properties of 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1898.75 g/mol, XLogP of 11.32, 22 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158914104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).