N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C30H17F3N4O3S — CID 56675237

IUPACN-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H17F3N4O3S/c31-18-5-3-17(4-6-18)23-15-41-29-26(23)28(34-16-35-29)40-25-12-9-20(14-24(25)33)36-27(38)22-2-1-13-37(30(22)39)21-10-7-19(32)8-11-21/h1-16H,(H,36,38)
InChIKeyJSLVIFDEVJOOJV-UHFFFAOYSA-N
MW570.55 g/mol
LogP6.97
Rot. Bonds6

About N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 56675237) has the molecular formula C30H17F3N4O3S and a molecular weight of 570.55 g/mol. Its IUPAC name is N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID56675237
Molecular FormulaC30H17F3N4O3S
Molecular Weight570.55 g/mol
Exact Mass570.10
IUPAC NameN-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H17F3N4O3S/c31-18-5-3-17(4-6-18)23-15-41-29-26(23)28(34-16-35-29)40-25-12-9-20(14-24(25)33)36-27(38)22-2-1-13-37(30(22)39)21-10-7-19(32)8-11-21/h1-16H,(H,36,38)
InChIKeyJSLVIFDEVJOOJV-UHFFFAOYSA-N
XLogP6.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.55
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 56675237) is N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is JSLVIFDEVJOOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17F3N4O3S/c31-18-5-3-17(4-6-18)23-15-41-29-26(23)28(34-16-35-29)40-25-12-9-20(14-24(25)33)36-27(38)22-2-1-13-37(30(22)39)21-10-7-19(32)8-11-21/h1-16H,(H,36,38).
What are the key properties of N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 570.55 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56675237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).