N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

C22H28N6O2 — CID 92889356

About N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (PubChem CID 92889356) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
• PubChem CID: 92889356
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
• SMILES: CC[C@@H](C)NC(=O)C1CCN(c2ccc3nnc(-c4ccc(OC)cc4)n3n2)CC1
• InChI: InChI=1S/C22H28N6O2/c1-4-15(2)23-22(29)17-11-13-27(14-12-17)20-10-9-19-24-25-21(28(19)26-20)16-5-7-18(30-3)8-6-16/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,29)/t15-/m1/s1
• InChIKey: QGWXCUWPKWUJHA-OAHLLOKOSA-N
• XLogP: 2.93
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

The IUPAC name of N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (CID 92889356) is N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is CC[C@@H](C)NC(=O)C1CCN(c2ccc3nnc(-c4ccc(OC)cc4)n3n2)CC1.

What is the InChIKey of N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

The InChIKey is QGWXCUWPKWUJHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-4-15(2)23-22(29)17-11-13-27(14-12-17)20-10-9-19-24-25-21(28(19)26-20)16-5-7-18(30-3)8-6-16/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,29)/t15-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92889356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).