3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide

C18H25N5O2S — CID 53144905

About 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 53144905) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
• PubChem CID: 53144905
• Molecular Formula: C18H25N5O2S
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.17
• IUPAC Name: 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)NCCc1cn(CC(C)C)c2ncccc12
• InChI: InChI=1S/C18H25N5O2S/c1-12(2)10-23-11-15(16-6-5-8-19-18(16)23)7-9-20-26(24,25)17-13(3)21-22-14(17)4/h5-6,8,11-12,20H,7,9-10H2,1-4H3,(H,21,22)
• InChIKey: GXZVVGMDXIJTSV-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?

The IUPAC name of 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide (CID 53144905) is 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?

The canonical SMILES for 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1cn(CC(C)C)c2ncccc12.

What is the InChIKey of 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?

The InChIKey is GXZVVGMDXIJTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-12(2)10-23-11-15(16-6-5-8-19-18(16)23)7-9-20-26(24,25)17-13(3)21-22-14(17)4/h5-6,8,11-12,20H,7,9-10H2,1-4H3,(H,21,22).

What are the key properties of 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?

3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 375.50 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 53144905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).