N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C18H17N7O2S — CID 55847628

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55847628) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 55847628
• Molecular Formula: C18H17N7O2S
• Molecular Weight: 395.45 g/mol
• Exact Mass: 395.12
• IUPAC Name: N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cnn(CC(N)=O)c2)c2cnn(Cc3cccs3)c2n1
• InChI: InChI=1S/C18H17N7O2S/c1-11-5-14(18(27)23-12-6-20-24(8-12)10-16(19)26)15-7-21-25(17(15)22-11)9-13-3-2-4-28-13/h2-8H,9-10H2,1H3,(H2,19,26)(H,23,27)
• InChIKey: BUOCRTRUOPYBSH-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.45
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55847628) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cnn(CC(N)=O)c2)c2cnn(Cc3cccs3)c2n1.

What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is BUOCRTRUOPYBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-11-5-14(18(27)23-12-6-20-24(8-12)10-16(19)26)15-7-21-25(17(15)22-11)9-13-3-2-4-28-13/h2-8H,9-10H2,1H3,(H2,19,26)(H,23,27).

What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55847628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).