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

C30H16F4N4O3S — CID 56657971

IUPACN-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3scc(-c4ccc(F)c(F)c4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H16F4N4O3S/c31-17-4-7-19(8-5-17)38-11-1-2-20(30(38)40)27(39)37-18-6-10-25(24(34)13-18)41-28-26-21(14-42-29(26)36-15-35-28)16-3-9-22(32)23(33)12-16/h1-15H,(H,37,39)
InChIKeySTFIWVGSGVAQOC-UHFFFAOYSA-N
MW588.54 g/mol
LogP7.11
Rot. Bonds6

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

N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 56657971) has the molecular formula C30H16F4N4O3S and a molecular weight of 588.54 g/mol. Its IUPAC name is N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID56657971
Molecular FormulaC30H16F4N4O3S
Molecular Weight588.54 g/mol
Exact Mass588.09
IUPAC NameN-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3scc(-c4ccc(F)c(F)c4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H16F4N4O3S/c31-17-4-7-19(8-5-17)38-11-1-2-20(30(38)40)27(39)37-18-6-10-25(24(34)13-18)41-28-26-21(14-42-29(26)36-15-35-28)16-3-9-22(32)23(33)12-16/h1-15H,(H,37,39)
InChIKeySTFIWVGSGVAQOC-UHFFFAOYSA-N
XLogP7.11
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.54
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118203931
N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
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1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118197847
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluoroaniline
CID 141284717
N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
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1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 143480769
N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 174313605
N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(pyridin-2-ylamino)-3-pyridinyl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 123837784
N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143889995
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
N-[4-[3-[3-(dimethylamino)prop-1-ynyl]-1-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]pyrrolo[2,3-b]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 21081783

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 56657971) is N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3scc(-c4ccc(F)c(F)c4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is STFIWVGSGVAQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F4N4O3S/c31-17-4-7-19(8-5-17)38-11-1-2-20(30(38)40)27(39)37-18-6-10-25(24(34)13-18)41-28-26-21(14-42-29(26)36-15-35-28)16-3-9-22(32)23(33)12-16/h1-15H,(H,37,39).
What are the key properties of N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 588.54 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56657971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).