5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide

C18H12N6O2 — CID 155482398

About 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide

5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155482398) has the molecular formula C18H12N6O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 155482398
• Molecular Formula: C18H12N6O2
• Molecular Weight: 344.33 g/mol
• Exact Mass: 344.10
• IUPAC Name: 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(C#N)cnc1C(=O)Nc1ccc2[nH]nc(-c3ccno3)c2c1
• InChI: InChI=1S/C18H12N6O2/c1-10-6-11(8-19)9-20-16(10)18(25)22-12-2-3-14-13(7-12)17(24-23-14)15-4-5-21-26-15/h2-7,9H,1H3,(H,22,25)(H,23,24)
• InChIKey: DQXGEVMYHTUEBR-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 120.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.33
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide (CID 155482398) is 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide is Cc1cc(C#N)cnc1C(=O)Nc1ccc2[nH]nc(-c3ccno3)c2c1.

What is the InChIKey of 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?

The InChIKey is DQXGEVMYHTUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2/c1-10-6-11(8-19)9-20-16(10)18(25)22-12-2-3-14-13(7-12)17(24-23-14)15-4-5-21-26-15/h2-7,9H,1H3,(H,22,25)(H,23,24).

What are the key properties of 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?

5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155482398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).