N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C16H12N6O2 — CID 86843516

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 86843516) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 86843516
• Molecular Formula: C16H12N6O2
• Molecular Weight: 320.31 g/mol
• Exact Mass: 320.10
• IUPAC Name: N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
• SMILES: Cc1[nH]nc2ncc(NC(=O)c3cc(-c4cccnc4)on3)cc12
• InChI: InChI=1S/C16H12N6O2/c1-9-12-5-11(8-18-15(12)21-20-9)19-16(23)13-6-14(24-22-13)10-3-2-4-17-7-10/h2-8H,1H3,(H,19,23)(H,18,20,21)
• InChIKey: VLDKZRLQAZLDNR-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.31
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 86843516) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1[nH]nc2ncc(NC(=O)c3cc(-c4cccnc4)on3)cc12.

What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

The InChIKey is VLDKZRLQAZLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-9-12-5-11(8-18-15(12)21-20-9)19-16(23)13-6-14(24-22-13)10-3-2-4-17-7-10/h2-8H,1H3,(H,19,23)(H,18,20,21).

What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86843516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).