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

C23H27ClN8O2S — CID 24816085

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

2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (PubChem CID 24816085) has the molecular formula C23H27ClN8O2S and a molecular weight of 515.04 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.

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
• PubChem CID: 24816085
• Molecular Formula: C23H27ClN8O2S
• Molecular Weight: 515.04 g/mol
• Exact Mass: 514.17
• 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
• SMILES: CN(C)S(=O)(=O)c1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)ccc1Cl
• InChI: InChI=1S/C23H27ClN8O2S/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/h6-7,9-10,12-15,25,28H,4-5,8,11H2,1-3H3
• InChIKey: GZHBKXFRDXWYQX-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.04
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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?

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 (CID 24816085) is 2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.

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?

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 is CN(C)S(=O)(=O)c1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)ccc1Cl.

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?

The InChIKey is GZHBKXFRDXWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN8O2S/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/h6-7,9-10,12-15,25,28H,4-5,8,11H2,1-3H3.

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?

2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide has a molecular weight of 515.04 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 24816085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).