2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide

C24H24ClN5O5S2 — CID 44513139

About 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide

2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 44513139) has the molecular formula C24H24ClN5O5S2 and a molecular weight of 562.07 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

• Compound Name: 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
• PubChem CID: 44513139
• Molecular Formula: C24H24ClN5O5S2
• Molecular Weight: 562.07 g/mol
• Exact Mass: 561.09
• IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
• SMILES: COc1ccc2nc(NC(=O)C(CC3CCOCC3)n3cc(S(=O)(=O)c4ccc(Cl)cc4)cn3)sc2n1
• InChI: InChI=1S/C24H24ClN5O5S2/c1-34-21-7-6-19-23(28-21)36-24(27-19)29-22(31)20(12-15-8-10-35-11-9-15)30-14-18(13-26-30)37(32,33)17-4-2-16(25)3-5-17/h2-7,13-15,20H,8-12H2,1H3,(H,27,29,31)
• InChIKey: QQMLWEOEOSGVHV-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.07
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide (CID 44513139) is 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide.

What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCOCC3)n3cc(S(=O)(=O)c4ccc(Cl)cc4)cn3)sc2n1.

What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

The InChIKey is QQMLWEOEOSGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O5S2/c1-34-21-7-6-19-23(28-21)36-24(27-19)29-22(31)20(12-15-8-10-35-11-9-15)30-14-18(13-26-30)37(32,33)17-4-2-16(25)3-5-17/h2-7,13-15,20H,8-12H2,1H3,(H,27,29,31).

What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 562.07 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 44513139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).