1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H22N6O — CID 44822594

About 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822594) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 44822594
• Molecular Formula: C21H22N6O
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.19
• IUPAC Name: 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCn1ncc2c(C(=O)NC(C)c3ccn(C)n3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C21H22N6O/c1-4-27-20-17(13-22-27)16(12-19(24-20)15-8-6-5-7-9-15)21(28)23-14(2)18-10-11-26(3)25-18/h5-14H,4H2,1-3H3,(H,23,28)
• InChIKey: FMQGEJGBMVGYBZ-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822594) is 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NC(C)c3ccn(C)n3)cc(-c3ccccc3)nc21.

What is the InChIKey of 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FMQGEJGBMVGYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-4-27-20-17(13-22-27)16(12-19(24-20)15-8-6-5-7-9-15)21(28)23-14(2)18-10-11-26(3)25-18/h5-14H,4H2,1-3H3,(H,23,28).

What are the key properties of 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).