2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one

C26H15F2N5O2S — CID 71510706

IUPAC2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one
SMILESO=c1c2c(Nc3ccc(Oc4ncnc5ccsc45)c(F)c3)nccc2ccn1-c1ccc(F)cc1
InChIInChI=1S/C26H15F2N5O2S/c27-16-1-4-18(5-2-16)33-11-8-15-7-10-29-24(22(15)26(33)34)32-17-3-6-21(19(28)13-17)35-25-23-20(9-12-36-23)30-14-31-25/h1-14H,(H,29,32)
InChIKeyWRMHAAQXMWGQNN-UHFFFAOYSA-N
MW499.50 g/mol
LogP6.20
Rot. Bonds5

About 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one

2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one (PubChem CID 71510706) has the molecular formula C26H15F2N5O2S and a molecular weight of 499.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one
PubChem CID71510706
Molecular FormulaC26H15F2N5O2S
Molecular Weight499.50 g/mol
Exact Mass499.09
IUPAC Name2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one
SMILESO=c1c2c(Nc3ccc(Oc4ncnc5ccsc45)c(F)c3)nccc2ccn1-c1ccc(F)cc1
InChIInChI=1S/C26H15F2N5O2S/c27-16-1-4-18(5-2-16)33-11-8-15-7-10-29-24(22(15)26(33)34)32-17-3-6-21(19(28)13-17)35-25-23-20(9-12-36-23)30-14-31-25/h1-14H,(H,29,32)
InChIKeyWRMHAAQXMWGQNN-UHFFFAOYSA-N
XLogP6.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one (CID 71510706) is 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one is O=c1c2c(Nc3ccc(Oc4ncnc5ccsc45)c(F)c3)nccc2ccn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one?
The InChIKey is WRMHAAQXMWGQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F2N5O2S/c27-16-1-4-18(5-2-16)33-11-8-15-7-10-29-24(22(15)26(33)34)32-17-3-6-21(19(28)13-17)35-25-23-20(9-12-36-23)30-14-31-25/h1-14H,(H,29,32).
What are the key properties of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one?
2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one has a molecular weight of 499.50 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 71510706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).