4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide

C32H23F2N5O4 — CID 91663332

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnn3ccc(-c4ccncc4)c23)c(F)c1
InChIInChI=1S/C32H23F2N5O4/c1-2-42-27-13-17-38(23-6-3-21(33)4-7-23)32(41)29(27)31(40)37-22-5-8-26(25(34)19-22)43-28-11-16-36-39-18-12-24(30(28)39)20-9-14-35-15-10-20/h3-19H,2H2,1H3,(H,37,40)
InChIKeyZBZGDBFDJRPKDH-UHFFFAOYSA-N
MW579.56 g/mol
LogP6.27
Rot. Bonds8

About 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 91663332) has the molecular formula C32H23F2N5O4 and a molecular weight of 579.56 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID91663332
Molecular FormulaC32H23F2N5O4
Molecular Weight579.56 g/mol
Exact Mass579.17
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnn3ccc(-c4ccncc4)c23)c(F)c1
InChIInChI=1S/C32H23F2N5O4/c1-2-42-27-13-17-38(23-6-3-21(33)4-7-23)32(41)29(27)31(40)37-22-5-8-26(25(34)19-22)43-28-11-16-36-39-18-12-24(30(28)39)20-9-14-35-15-10-20/h3-19H,2H2,1H3,(H,37,40)
InChIKeyZBZGDBFDJRPKDH-UHFFFAOYSA-N
XLogP6.27
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.56
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (CID 91663332) is 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnn3ccc(-c4ccncc4)c23)c(F)c1.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZBZGDBFDJRPKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N5O4/c1-2-42-27-13-17-38(23-6-3-21(33)4-7-23)32(41)29(27)31(40)37-22-5-8-26(25(34)19-22)43-28-11-16-36-39-18-12-24(30(28)39)20-9-14-35-15-10-20/h3-19H,2H2,1H3,(H,37,40).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 579.56 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-(5-pyridin-4-ylpyrrolo[1,2-b]pyridazin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91663332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).