N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide

C29H23F2N5O5 — CID 165373140

About N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide (PubChem CID 165373140) has the molecular formula C29H23F2N5O5 and a molecular weight of 559.53 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide
• PubChem CID: 165373140
• Molecular Formula: C29H23F2N5O5
• Molecular Weight: 559.53 g/mol
• Exact Mass: 559.17
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)nc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C29H23F2N5O5/c1-15-24(27(37)25(35-36(15)2)16-5-7-17(30)8-6-16)28(38)33-18-9-10-21(19(31)13-18)41-22-11-12-32-20-14-23(39-3)29(40-4)34-26(20)22/h5-14H,1-4H3,(H,33,38)
• InChIKey: RUKKANUYNKZIFU-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 117.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.53
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide (CID 165373140) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide.

What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)nc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC.

What is the InChIKey of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide?

The InChIKey is RUKKANUYNKZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N5O5/c1-15-24(27(37)25(35-36(15)2)16-5-7-17(30)8-6-16)28(38)33-18-9-10-21(19(31)13-18)41-22-11-12-32-20-14-23(39-3)29(40-4)34-26(20)22/h5-14H,1-4H3,(H,33,38).

What are the key properties of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide?

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide has a molecular weight of 559.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide is sourced from PubChem (CID 165373140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).