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

C27H16F2N4O2S — CID 71510450

IUPAC2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one
SMILESO=c1c2c(Nc3ccc(Oc4ccnc5ccsc45)c(F)c3)nccc2ccn1-c1ccc(F)cc1
InChIInChI=1S/C27H16F2N4O2S/c28-17-1-4-19(5-2-17)33-13-9-16-7-11-31-26(24(16)27(33)34)32-18-3-6-22(20(29)15-18)35-23-8-12-30-21-10-14-36-25(21)23/h1-15H,(H,31,32)
InChIKeyKFABJMAURLMRMU-UHFFFAOYSA-N
MW498.51 g/mol
LogP6.81
Rot. Bonds5

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

2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one (PubChem CID 71510450) has the molecular formula C27H16F2N4O2S and a molecular weight of 498.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one
PubChem CID71510450
Molecular FormulaC27H16F2N4O2S
Molecular Weight498.51 g/mol
Exact Mass498.10
IUPAC Name2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one
SMILESO=c1c2c(Nc3ccc(Oc4ccnc5ccsc45)c(F)c3)nccc2ccn1-c1ccc(F)cc1
InChIInChI=1S/C27H16F2N4O2S/c28-17-1-4-19(5-2-17)33-13-9-16-7-11-31-26(24(16)27(33)34)32-18-3-6-22(20(29)15-18)35-23-8-12-30-21-10-14-36-25(21)23/h1-15H,(H,31,32)
InChIKeyKFABJMAURLMRMU-UHFFFAOYSA-N
XLogP6.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.51
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11518616
CID 11518616
CID 11533908
CID 11533908
CID 11540724
CID 11540724
CID 11671030
CID 11671030
CID 24901699
CID 24901699
CID 24901709
CID 24901709
CID 24901710
CID 24901710
CID 24901711
CID 24901711
CID 24901716
CID 24901716
CID 11599241
CID 11599241
CID 24901703
CID 24901703
CID 56668325
CID 56668325

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one (CID 71510450) is 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one is O=c1c2c(Nc3ccc(Oc4ccnc5ccsc45)c(F)c3)nccc2ccn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one?
The InChIKey is KFABJMAURLMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N4O2S/c28-17-1-4-19(5-2-17)33-13-9-16-7-11-31-26(24(16)27(33)34)32-18-3-6-22(20(29)15-18)35-23-8-12-30-21-10-14-36-25(21)23/h1-15H,(H,31,32).
What are the key properties of 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one?
2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one has a molecular weight of 498.51 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyanilino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 71510450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).