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

C36H28FN7O4 — CID 170950593

IUPACN-[4-[5-[3-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C36H28FN7O4/c1-3-38-26-7-4-6-22(18-26)30-31-34(39-21-40-35(31)48-32(30)23-19-41-43(2)20-23)47-28-15-11-25(12-16-28)42-33(45)29-8-5-17-44(36(29)46)27-13-9-24(37)10-14-27/h4-21,38H,3H2,1-2H3,(H,42,45)
InChIKeyHGKBHIFFCNJLPA-UHFFFAOYSA-N
MW641.66 g/mol
LogP7.06
Rot. Bonds9

About N-[4-[5-[3-(ethylamino)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-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 170950593) has the molecular formula C36H28FN7O4 and a molecular weight of 641.66 g/mol. Its IUPAC name is N-[4-[5-[3-(ethylamino)phenyl]-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-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID170950593
Molecular FormulaC36H28FN7O4
Molecular Weight641.66 g/mol
Exact Mass641.22
IUPAC NameN-[4-[5-[3-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
InChIInChI=1S/C36H28FN7O4/c1-3-38-26-7-4-6-22(18-26)30-31-34(39-21-40-35(31)48-32(30)23-19-41-43(2)20-23)47-28-15-11-25(12-16-28)42-33(45)29-8-5-17-44(36(29)46)27-13-9-24(37)10-14-27/h4-21,38H,3H2,1-2H3,(H,42,45)
InChIKeyHGKBHIFFCNJLPA-UHFFFAOYSA-N
XLogP7.06
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 ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[5-[3-(ethylamino)phenyl]-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-(ethylamino)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-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 170950593) is N-[4-[5-[3-(ethylamino)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-(ethylamino)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-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCNc1cccc(-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-(ethylamino)phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is HGKBHIFFCNJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28FN7O4/c1-3-38-26-7-4-6-22(18-26)30-31-34(39-21-40-35(31)48-32(30)23-19-41-43(2)20-23)47-28-15-11-25(12-16-28)42-33(45)29-8-5-17-44(36(29)46)27-13-9-24(37)10-14-27/h4-21,38H,3H2,1-2H3,(H,42,45).
What are the key properties of N-[4-[5-[3-(ethylamino)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-(ethylamino)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 7.06, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(ethylamino)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 170950593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).