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

C20H16FN5O3 — CID 91555270

IUPAC4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(CCOc2nnc(Nc3ccc(F)cc3)c3ccoc23)ccn1
InChIInChI=1S/C20H16FN5O3/c21-13-1-3-14(4-2-13)24-19-15-7-10-28-17(15)20(26-25-19)29-9-6-12-5-8-23-16(11-12)18(22)27/h1-5,7-8,10-11H,6,9H2,(H2,22,27)(H,24,25)
InChIKeyHLVBBTIUHBVUAH-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.22
Rot. Bonds7

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

4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide (PubChem CID 91555270) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide
PubChem CID91555270
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(CCOc2nnc(Nc3ccc(F)cc3)c3ccoc23)ccn1
InChIInChI=1S/C20H16FN5O3/c21-13-1-3-14(4-2-13)24-19-15-7-10-28-17(15)20(26-25-19)29-9-6-12-5-8-23-16(11-12)18(22)27/h1-5,7-8,10-11H,6,9H2,(H2,22,27)(H,24,25)
InChIKeyHLVBBTIUHBVUAH-UHFFFAOYSA-N
XLogP3.22
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide (CID 91555270) is 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide is NC(=O)c1cc(CCOc2nnc(Nc3ccc(F)cc3)c3ccoc23)ccn1.
What is the InChIKey of 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
The InChIKey is HLVBBTIUHBVUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c21-13-1-3-14(4-2-13)24-19-15-7-10-28-17(15)20(26-25-19)29-9-6-12-5-8-23-16(11-12)18(22)27/h1-5,7-8,10-11H,6,9H2,(H2,22,27)(H,24,25).
What are the key properties of 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide?
4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluoroanilino)furo[2,3-d]pyridazin-7-yl]oxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91555270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).