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

C32H22F2N4O5S — CID 56657970

IUPACN-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)cc1OC
InChIInChI=1S/C32H22F2N4O5S/c1-41-26-11-5-18(14-27(26)42-2)23-16-44-31-28(23)30(35-17-36-31)43-25-12-8-20(15-24(25)34)37-29(39)22-4-3-13-38(32(22)40)21-9-6-19(33)7-10-21/h3-17H,1-2H3,(H,37,39)
InChIKeyNVNYFKPAWYTGAX-UHFFFAOYSA-N
MW612.61 g/mol
LogP6.85
Rot. Bonds8

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

N-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 56657970) has the molecular formula C32H22F2N4O5S and a molecular weight of 612.61 g/mol. Its IUPAC name is N-[4-[5-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID56657970
Molecular FormulaC32H22F2N4O5S
Molecular Weight612.61 g/mol
Exact Mass612.13
IUPAC NameN-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)cc1OC
InChIInChI=1S/C32H22F2N4O5S/c1-41-26-11-5-18(14-27(26)42-2)23-16-44-31-28(23)30(35-17-36-31)43-25-12-8-20(15-24(25)34)37-29(39)22-4-3-13-38(32(22)40)21-9-6-19(33)7-10-21/h3-17H,1-2H3,(H,37,39)
InChIKeyNVNYFKPAWYTGAX-UHFFFAOYSA-N
XLogP6.85
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.61
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-{8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-yloxy}phenyl)benzamide
CID 1036473
1-(4-fluorophenyl)-N-[3-fluoro-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 53357848
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
N-[3-fluoro-4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 56661502
CID 56668352
CID 56668352
N-[3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 56675237
3,4-dimethoxy-N-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]benzamide
CID 1745852
3,4,5-trimethoxy-N-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]benzamide
CID 1745853
N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 56668351
N-[3-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 1186229
1-(4-fluorophenyl)-N-[3-fluoro-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)phenyl]-2-oxopyridine-3-carboxamide
CID 56657972
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 56661504

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 56657970) is N-[4-[5-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)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-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is COc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)cc1OC.
What is the InChIKey of N-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is NVNYFKPAWYTGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F2N4O5S/c1-41-26-11-5-18(14-27(26)42-2)23-16-44-31-28(23)30(35-17-36-31)43-25-12-8-20(15-24(25)34)37-29(39)22-4-3-13-38(32(22)40)21-9-6-19(33)7-10-21/h3-17H,1-2H3,(H,37,39).
What are the key properties of N-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 612.61 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56657970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).