3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one

C23H19ClFN7O — CID 158601675

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one (PubChem CID 158601675) has the molecular formula C23H19ClFN7O and a molecular weight of 463.90 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one
• PubChem CID: 158601675
• Molecular Formula: C23H19ClFN7O
• Molecular Weight: 463.90 g/mol
• Exact Mass: 463.13
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1
• InChI: InChI=1S/C23H19ClFN7O/c24-16-7-8-31-13-27-18(23(31)22(16)25)3-5-20(33)19-11-30(12-26-19)9-15-10-32-21(28-15)6-4-17(29-32)14-1-2-14/h4,6-8,10-14H,1-3,5,9H2
• InChIKey: JSPMHFVVOXGQOC-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 82.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.90
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one (CID 158601675) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one.

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

The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.

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

The InChIKey is JSPMHFVVOXGQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O/c24-16-7-8-31-13-27-18(23(31)22(16)25)3-5-20(33)19-11-30(12-26-19)9-15-10-32-21(28-15)6-4-17(29-32)14-1-2-14/h4,6-8,10-14H,1-3,5,9H2.

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

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one has a molecular weight of 463.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one is sourced from PubChem (CID 158601675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).