[4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

C28H24N8O4S — CID 134565740

About [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 134565740) has the molecular formula C28H24N8O4S and a molecular weight of 568.62 g/mol. Its IUPAC name is [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 134565740
• Molecular Formula: C28H24N8O4S
• Molecular Weight: 568.62 g/mol
• Exact Mass: 568.16
• IUPAC Name: [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
• SMILES: Cn1cc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6ccc(C(=O)N7CCOCC7)cc6)cc54)n3c2)cn1
• InChI: InChI=1S/C28H24N8O4S/c1-33-17-23(14-31-33)21-6-7-26-30-16-27(35(26)18-21)41(38,39)36-25-12-22(13-29-24(25)15-32-36)19-2-4-20(5-3-19)28(37)34-8-10-40-11-9-34/h2-7,12-18H,8-11H2,1H3
• InChIKey: ATELZESTHPIUFA-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 129.51 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.62
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 134565740) is [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is Cn1cc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6ccc(C(=O)N7CCOCC7)cc6)cc54)n3c2)cn1.

What is the InChIKey of [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is ATELZESTHPIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O4S/c1-33-17-23(14-31-33)21-6-7-26-30-16-27(35(26)18-21)41(38,39)36-25-12-22(13-29-24(25)15-32-36)19-2-4-20(5-3-19)28(37)34-8-10-40-11-9-34/h2-7,12-18H,8-11H2,1H3.

What are the key properties of [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?

[4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 568.62 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134565740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).