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

C35H26FN7O4 — CID 170950413

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

1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 170950413) has the molecular formula C35H26FN7O4 and a molecular weight of 627.64 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 170950413
• Molecular Formula: C35H26FN7O4
• Molecular Weight: 627.64 g/mol
• Exact Mass: 627.20
• IUPAC Name: 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
• SMILES: CNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
• InChI: InChI=1S/C35H26FN7O4/c1-37-25-6-3-5-21(17-25)29-30-33(38-20-39-34(30)47-31(29)22-18-40-42(2)19-22)46-27-14-10-24(11-15-27)41-32(44)28-7-4-16-43(35(28)45)26-12-8-23(36)9-13-26/h3-20,37H,1-2H3,(H,41,44)
• InChIKey: USGGKJZAODNEBP-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 129.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.64
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (CID 170950413) is 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is CNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1.

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

The InChIKey is USGGKJZAODNEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26FN7O4/c1-37-25-6-3-5-21(17-25)29-30-33(38-20-39-34(30)47-31(29)22-18-40-42(2)19-22)46-27-14-10-24(11-15-27)41-32(44)28-7-4-16-43(35(28)45)26-12-8-23(36)9-13-26/h3-20,37H,1-2H3,(H,41,44).

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

1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 627.64 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[4-[5-[3-(methylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).