4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide

C20H15ClFN5O3 — CID 91438773

IUPAC4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(CCOc2nnc(Nc3ccc(F)c(Cl)c3)c3ccoc23)ccn1
InChIInChI=1S/C20H15ClFN5O3/c21-14-10-12(1-2-15(14)22)25-19-13-5-8-29-17(13)20(27-26-19)30-7-4-11-3-6-24-16(9-11)18(23)28/h1-3,5-6,8-10H,4,7H2,(H2,23,28)(H,25,26)
InChIKeyHGUXDGXPJFHLJV-UHFFFAOYSA-N
MW427.82 g/mol
LogP3.87
Rot. Bonds7

About 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide

4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide (PubChem CID 91438773) has the molecular formula C20H15ClFN5O3 and a molecular weight of 427.82 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide
PubChem CID91438773
Molecular FormulaC20H15ClFN5O3
Molecular Weight427.82 g/mol
Exact Mass427.08
IUPAC Name4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(CCOc2nnc(Nc3ccc(F)c(Cl)c3)c3ccoc23)ccn1
InChIInChI=1S/C20H15ClFN5O3/c21-14-10-12(1-2-15(14)22)25-19-13-5-8-29-17(13)20(27-26-19)30-7-4-11-3-6-24-16(9-11)18(23)28/h1-3,5-6,8-10H,4,7H2,(H2,23,28)(H,25,26)
InChIKeyHGUXDGXPJFHLJV-UHFFFAOYSA-N
XLogP3.87
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.82
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide (CID 91438773) is 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide is NC(=O)c1cc(CCOc2nnc(Nc3ccc(F)c(Cl)c3)c3ccoc23)ccn1.
What is the InChIKey of 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
The InChIKey is HGUXDGXPJFHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3/c21-14-10-12(1-2-15(14)22)25-19-13-5-8-29-17(13)20(27-26-19)30-7-4-11-3-6-24-16(9-11)18(23)28/h1-3,5-6,8-10H,4,7H2,(H2,23,28)(H,25,26).
What are the key properties of 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide has a molecular weight of 427.82 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91438773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).