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

C24H23F2N5O2S — CID 55501595

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

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55501595) has the molecular formula C24H23F2N5O2S and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55501595
• Molecular Formula: C24H23F2N5O2S
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.15
• IUPAC Name: N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CNC(=O)C(NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)c1ccc(F)c(F)c1
• InChI: InChI=1S/C24H23F2N5O2S/c1-12(2)31-22-16(11-28-31)15(10-19(29-22)20-8-5-13(3)34-20)23(32)30-21(24(33)27-4)14-6-7-17(25)18(26)9-14/h5-12,21H,1-4H3,(H,27,33)(H,30,32)
• InChIKey: BDPJOETVRFRJET-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55501595) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)C(NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)c1ccc(F)c(F)c1.

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

The InChIKey is BDPJOETVRFRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2S/c1-12(2)31-22-16(11-28-31)15(10-19(29-22)20-8-5-13(3)34-20)23(32)30-21(24(33)27-4)14-6-7-17(25)18(26)9-14/h5-12,21H,1-4H3,(H,27,33)(H,30,32).

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

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55501595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).