N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C36H28FN7O4 — CID 170950409

About N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 170950409) has the molecular formula C36H28FN7O4 and a molecular weight of 641.66 g/mol. Its IUPAC name is N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 170950409
• Molecular Formula: C36H28FN7O4
• Molecular Weight: 641.66 g/mol
• Exact Mass: 641.22
• IUPAC Name: N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CN(C)c1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
• InChI: InChI=1S/C36H28FN7O4/c1-42(2)27-7-4-6-22(18-27)30-31-34(38-21-39-35(31)48-32(30)23-19-40-43(3)20-23)47-28-15-11-25(12-16-28)41-33(45)29-8-5-17-44(36(29)46)26-13-9-24(37)10-14-26/h4-21H,1-3H3,(H,41,45)
• InChIKey: XBBFRFFVOXSJOR-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 120.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.66
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 170950409) is N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CN(C)c1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1.

What is the InChIKey of N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is XBBFRFFVOXSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28FN7O4/c1-42(2)27-7-4-6-22(18-27)30-31-34(38-21-39-35(31)48-32(30)23-19-40-43(3)20-23)47-28-15-11-25(12-16-28)41-33(45)29-8-5-17-44(36(29)46)26-13-9-24(37)10-14-26/h4-21H,1-3H3,(H,41,45).

What are the key properties of N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 641.66 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[3-(dimethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170950409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).