N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C22H27N5O3S — CID 97429548

About N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 97429548) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
• PubChem CID: 97429548
• Molecular Formula: C22H27N5O3S
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.18
• IUPAC Name: N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc3ccncc3n2C(C)C)C1
• InChI: InChI=1S/C22H27N5O3S/c1-14(2)27-20-12-23-9-7-18(20)25-22(27)17-8-10-26(13-17)31(29,30)21-11-15(3)5-6-19(21)24-16(4)28/h5-7,9,11-12,14,17H,8,10,13H2,1-4H3,(H,24,28)/t17-/m1/s1
• InChIKey: ZLAZAXMZPKUSJC-QGZVFWFLSA-N
• XLogP: 3.46
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?

The IUPAC name of N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 97429548) is N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

What is the SMILES notation for N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?

The canonical SMILES for N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc3ccncc3n2C(C)C)C1.

What is the InChIKey of N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?

The InChIKey is ZLAZAXMZPKUSJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-14(2)27-20-12-23-9-7-18(20)25-22(27)17-8-10-26(13-17)31(29,30)21-11-15(3)5-6-19(21)24-16(4)28/h5-7,9,11-12,14,17H,8,10,13H2,1-4H3,(H,24,28)/t17-/m1/s1.

What are the key properties of N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?

N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 441.56 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 97429548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).