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

C36H26FN7O5 — CID 170950400

IUPACN-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C36H26FN7O5/c1-21(45)41-26-6-3-5-22(17-26)30-31-34(38-20-39-35(31)49-32(30)23-18-40-43(2)19-23)48-28-14-10-25(11-15-28)42-33(46)29-7-4-16-44(36(29)47)27-12-8-24(37)9-13-27/h3-20H,1-2H3,(H,41,45)(H,42,46)
InChIKeyTWBJKVMWEQKJFY-UHFFFAOYSA-N
MW655.65 g/mol
LogP6.58
Rot. Bonds8

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

N-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 170950400) has the molecular formula C36H26FN7O5 and a molecular weight of 655.65 g/mol. Its IUPAC name is N-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID170950400
Molecular FormulaC36H26FN7O5
Molecular Weight655.65 g/mol
Exact Mass655.20
IUPAC NameN-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C36H26FN7O5/c1-21(45)41-26-6-3-5-22(17-26)30-31-34(38-20-39-35(31)49-32(30)23-18-40-43(2)19-23)48-28-14-10-25(11-15-28)42-33(46)29-7-4-16-44(36(29)47)27-12-8-24(37)9-13-27/h3-20H,1-2H3,(H,41,45)(H,42,46)
InChIKeyTWBJKVMWEQKJFY-UHFFFAOYSA-N
XLogP6.58
TPSA146.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.65
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-acetamidophenyl)-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-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 170950400) is N-[4-[5-(3-acetamidophenyl)-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-acetamidophenyl)-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-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CC(=O)Nc1cccc(-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-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is TWBJKVMWEQKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26FN7O5/c1-21(45)41-26-6-3-5-22(17-26)30-31-34(38-20-39-35(31)49-32(30)23-18-40-43(2)19-23)48-28-14-10-25(11-15-28)42-33(46)29-7-4-16-44(36(29)47)27-12-8-24(37)9-13-27/h3-20H,1-2H3,(H,41,45)(H,42,46).
What are the key properties of N-[4-[5-(3-acetamidophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[5-(3-acetamidophenyl)-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 655.65 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-acetamidophenyl)-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 170950400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).