1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide

C30H18F2N4O3S — CID 56661504

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H18F2N4O3S/c31-19-8-11-21(12-9-19)36-14-4-7-22(30(36)38)27(37)35-20-10-13-25(24(32)15-20)39-28-23-16-26(18-5-2-1-3-6-18)40-29(23)34-17-33-28/h1-17H,(H,35,37)
InChIKeyXOIQYXHTGLCEPU-UHFFFAOYSA-N
MW552.56 g/mol
LogP6.83
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 56661504) has the molecular formula C30H18F2N4O3S and a molecular weight of 552.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID56661504
Molecular FormulaC30H18F2N4O3S
Molecular Weight552.56 g/mol
Exact Mass552.11
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H18F2N4O3S/c31-19-8-11-21(12-9-19)36-14-4-7-22(30(36)38)27(37)35-20-10-13-25(24(32)15-20)39-28-23-16-26(18-5-2-1-3-6-18)40-29(23)34-17-33-28/h1-17H,(H,35,37)
InChIKeyXOIQYXHTGLCEPU-UHFFFAOYSA-N
XLogP6.83
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.56
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (CID 56661504) is 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is XOIQYXHTGLCEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F2N4O3S/c31-19-8-11-21(12-9-19)36-14-4-7-22(30(36)38)27(37)35-20-10-13-25(24(32)15-20)39-28-23-16-26(18-5-2-1-3-6-18)40-29(23)34-17-33-28/h1-17H,(H,35,37).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 552.56 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56661504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).