methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate

C26H24ClFN10O3 — CID 139487530

About methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate

methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate (PubChem CID 139487530) has the molecular formula C26H24ClFN10O3 and a molecular weight of 579.00 g/mol. Its IUPAC name is methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate
• PubChem CID: 139487530
• Molecular Formula: C26H24ClFN10O3
• Molecular Weight: 579.00 g/mol
• Exact Mass: 578.17
• IUPAC Name: methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate
• SMILES: COC(=O)C1CN(c2cc(C3CC3)nn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)C1
• InChI: InChI=1S/C26H24ClFN10O3/c1-41-26(40)15-8-36(9-15)21-6-18(14-2-3-14)33-38-11-16(31-24(21)38)10-37-12-20(32-34-37)25(39)29-7-19-23-22(28)17(27)4-5-35(23)13-30-19/h4-6,11-15H,2-3,7-10H2,1H3,(H,29,39)
• InChIKey: WCUZZJJIYBJJMV-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 136.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.00
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate?

The IUPAC name of methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate (CID 139487530) is methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate.

What is the SMILES notation for methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate?

The canonical SMILES for methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate is COC(=O)C1CN(c2cc(C3CC3)nn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)C1.

What is the InChIKey of methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate?

The InChIKey is WCUZZJJIYBJJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN10O3/c1-41-26(40)15-8-36(9-15)21-6-18(14-2-3-14)33-38-11-16(31-24(21)38)10-37-12-20(32-34-37)25(39)29-7-19-23-22(28)17(27)4-5-35(23)13-30-19/h4-6,11-15H,2-3,7-10H2,1H3,(H,29,39).

What are the key properties of methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate?

methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate has a molecular weight of 579.00 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate is sourced from PubChem (CID 139487530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).