N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H27N5O3S — CID 46577418

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46577418) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 46577418
• Molecular Formula: C25H27N5O3S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.18
• IUPAC Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1
• InChI: InChI=1S/C25H27N5O3S/c1-15(2)30-24-20(13-26-30)19(12-21(28-24)22-10-9-16(3)34-22)25(32)29(4)14-23(31)27-17-7-6-8-18(11-17)33-5/h6-13,15H,14H2,1-5H3,(H,27,31)
• InChIKey: DZPGVSNIUJCSTB-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46577418) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1.

What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is DZPGVSNIUJCSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-15(2)30-24-20(13-26-30)19(12-21(28-24)22-10-9-16(3)34-22)25(32)29(4)14-23(31)27-17-7-6-8-18(11-17)33-5/h6-13,15H,14H2,1-5H3,(H,27,31).

What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46577418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).