1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

C23H17N7O2 — CID 121036871

About 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 121036871) has the molecular formula C23H17N7O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 121036871
• Molecular Formula: C23H17N7O2
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.14
• IUPAC Name: 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
• SMILES: Cn1cccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)c1=O
• InChI: InChI=1S/C23H17N7O2/c1-29-14-2-3-18(23(29)32)22(31)25-17-6-4-15(5-7-17)19-8-9-20-26-27-21(30(20)28-19)16-10-12-24-13-11-16/h2-14H,1H3,(H,25,31)
• InChIKey: QYGIAYYPTBPPRT-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 107.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (CID 121036871) is 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is Cn1cccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)c1=O.

What is the InChIKey of 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is QYGIAYYPTBPPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O2/c1-29-14-2-3-18(23(29)32)22(31)25-17-6-4-15(5-7-17)19-8-9-20-26-27-21(30(20)28-19)16-10-12-24-13-11-16/h2-14H,1H3,(H,25,31).

What are the key properties of 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?

1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121036871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).