1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one

C25H26F3N5O2 — CID 143463249

About 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one

1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one (PubChem CID 143463249) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one.

Molecular Properties

• Compound Name: 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one
• PubChem CID: 143463249
• Molecular Formula: C25H26F3N5O2
• Molecular Weight: 485.51 g/mol
• Exact Mass: 485.20
• IUPAC Name: 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one
• SMILES: CCN1CCc2c(-c3cncc(OC)c3)nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c21
• InChI: InChI=1S/C25H26F3N5O2/c1-3-31-11-8-19-22(16-12-18(35-2)15-29-14-16)30-33(24(34)23(19)31)21-13-17(32-9-4-5-10-32)6-7-20(21)25(26,27)28/h6-7,12-15H,3-5,8-11H2,1-2H3
• InChIKey: VLTYCGHKSYOUGN-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 63.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one?

The IUPAC name of 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one (CID 143463249) is 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one.

What is the SMILES notation for 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one?

The canonical SMILES for 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one is CCN1CCc2c(-c3cncc(OC)c3)nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c21.

What is the InChIKey of 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one?

The InChIKey is VLTYCGHKSYOUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-3-31-11-8-19-22(16-12-18(35-2)15-29-14-16)30-33(24(34)23(19)31)21-13-17(32-9-4-5-10-32)6-7-20(21)25(26,27)28/h6-7,12-15H,3-5,8-11H2,1-2H3.

What are the key properties of 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one?

1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one has a molecular weight of 485.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one is sourced from PubChem (CID 143463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).