N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C26H23F2N7O2 — CID 59233052

About N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233052) has the molecular formula C26H23F2N7O2 and a molecular weight of 503.51 g/mol. Its IUPAC name is N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 59233052
• Molecular Formula: C26H23F2N7O2
• Molecular Weight: 503.51 g/mol
• Exact Mass: 503.19
• IUPAC Name: N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CC(C)Oc1cccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1
• InChI: InChI=1S/C26H23F2N7O2/c1-15(2)37-19-5-3-4-17(12-19)18-8-10-23-31-32-25(34(23)13-18)26(27,28)20-9-11-22-29-21(14-35(22)33-20)30-24(36)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,30,36)
• InChIKey: JRUQDEWUXDJDHV-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 98.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.51
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233052) is N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CC(C)Oc1cccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1.

What is the InChIKey of N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is JRUQDEWUXDJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O2/c1-15(2)37-19-5-3-4-17(12-19)18-8-10-23-31-32-25(34(23)13-18)26(27,28)20-9-11-22-29-21(14-35(22)33-20)30-24(36)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,30,36).

What are the key properties of N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 503.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[difluoro-[6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).