N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide

C26H23N5O4S — CID 53486942

About N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide

N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 53486942) has the molecular formula C26H23N5O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 53486942
• Molecular Formula: C26H23N5O4S
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.15
• IUPAC Name: N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(Cn2cc(NC(=O)c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn2)cc1
• InChI: InChI=1S/C26H23N5O4S/c1-18-5-11-23(12-6-18)36(33,34)31-24(14-20-4-3-13-27-25(20)31)26(32)29-21-15-28-30(17-21)16-19-7-9-22(35-2)10-8-19/h3-15,17H,16H2,1-2H3,(H,29,32)
• InChIKey: LAWIDXUZSSHUPJ-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 108.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide (CID 53486942) is N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide is COc1ccc(Cn2cc(NC(=O)c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn2)cc1.

What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is LAWIDXUZSSHUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S/c1-18-5-11-23(12-6-18)36(33,34)31-24(14-20-4-3-13-27-25(20)31)26(32)29-21-15-28-30(17-21)16-19-7-9-22(35-2)10-8-19/h3-15,17H,16H2,1-2H3,(H,29,32).

What are the key properties of N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide?

N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).