3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

C18H23N5O4S2 — CID 55615609

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (PubChem CID 55615609) has the molecular formula C18H23N5O4S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
• PubChem CID: 55615609
• Molecular Formula: C18H23N5O4S2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.12
• IUPAC Name: 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
• SMILES: COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(S(N)(=O)=O)s3)c(C)c12
• InChI: InChI=1S/C18H23N5O4S2/c1-10-13(11(2)21-17-16(10)18(27-4)22-23(17)3)6-7-14(24)20-9-12-5-8-15(28-12)29(19,25)26/h5,8H,6-7,9H2,1-4H3,(H,20,24)(H2,19,25,26)
• InChIKey: VAIBMJVPWQSGRU-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 129.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?

The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (CID 55615609) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?

The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(S(N)(=O)=O)s3)c(C)c12.

What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?

The InChIKey is VAIBMJVPWQSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S2/c1-10-13(11(2)21-17-16(10)18(27-4)22-23(17)3)6-7-14(24)20-9-12-5-8-15(28-12)29(19,25)26/h5,8H,6-7,9H2,1-4H3,(H,20,24)(H2,19,25,26).

What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide has a molecular weight of 437.55 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 55615609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).