N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide

C25H16F2N4O3S — CID 71493896

IUPACN-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ncnc4ccsc34)c(F)c2)c1
InChIInChI=1S/C25H16F2N4O3S/c26-17-4-1-15(2-5-17)12-28-24(33)16-3-8-22(32)31(13-16)18-6-7-21(19(27)11-18)34-25-23-20(9-10-35-23)29-14-30-25/h1-11,13-14H,12H2,(H,28,33)
InChIKeyLTRMKOGZJVHSPY-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.84
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 71493896) has the molecular formula C25H16F2N4O3S and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide
PubChem CID71493896
Molecular FormulaC25H16F2N4O3S
Molecular Weight490.49 g/mol
Exact Mass490.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ncnc4ccsc34)c(F)c2)c1
InChIInChI=1S/C25H16F2N4O3S/c26-17-4-1-15(2-5-17)12-28-24(33)16-3-8-22(32)31(13-16)18-6-7-21(19(27)11-18)34-25-23-20(9-10-35-23)29-14-30-25/h1-11,13-14H,12H2,(H,28,33)
InChIKeyLTRMKOGZJVHSPY-UHFFFAOYSA-N
XLogP4.84
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide (CID 71493896) is N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ncnc4ccsc34)c(F)c2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is LTRMKOGZJVHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N4O3S/c26-17-4-1-15(2-5-17)12-28-24(33)16-3-8-22(32)31(13-16)18-6-7-21(19(27)11-18)34-25-23-20(9-10-35-23)29-14-30-25/h1-11,13-14H,12H2,(H,28,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71493896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).