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

C36H28FN7O4 — CID 170950436

IUPAC1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCNCc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C36H28FN7O4/c1-38-18-22-5-3-6-23(17-22)30-31-34(39-21-40-35(31)48-32(30)24-19-41-43(2)20-24)47-28-14-10-26(11-15-28)42-33(45)29-7-4-16-44(36(29)46)27-12-8-25(37)9-13-27/h3-17,19-21,38H,18H2,1-2H3,(H,42,45)
InChIKeyZPBNHZZNPPBHBE-UHFFFAOYSA-N
MW641.66 g/mol
LogP6.34
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)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-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 170950436) has the molecular formula C36H28FN7O4 and a molecular weight of 641.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID170950436
Molecular FormulaC36H28FN7O4
Molecular Weight641.66 g/mol
Exact Mass641.22
IUPAC Name1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCNCc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C36H28FN7O4/c1-38-18-22-5-3-6-23(17-22)30-31-34(39-21-40-35(31)48-32(30)24-19-41-43(2)20-24)47-28-14-10-26(11-15-28)42-33(45)29-7-4-16-44(36(29)46)27-12-8-25(37)9-13-27/h3-17,19-21,38H,18H2,1-2H3,(H,42,45)
InChIKeyZPBNHZZNPPBHBE-UHFFFAOYSA-N
XLogP6.34
TPSA129.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.66
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)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-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (CID 170950436) is 1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)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-(methylaminomethyl)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-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is CNCc1cccc(-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-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZPBNHZZNPPBHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28FN7O4/c1-38-18-22-5-3-6-23(17-22)30-31-34(39-21-40-35(31)48-32(30)24-19-41-43(2)20-24)47-28-14-10-26(11-15-28)42-33(45)29-7-4-16-44(36(29)46)27-12-8-25(37)9-13-27/h3-17,19-21,38H,18H2,1-2H3,(H,42,45).
What are the key properties of 1-(4-fluorophenyl)-N-[4-[5-[3-(methylaminomethyl)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-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 641.66 g/mol, XLogP of 6.34, 9 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-(methylaminomethyl)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170950436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).