N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide

C24H17FN4O2S — CID 25054856

IUPACN-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4ccccc4)cc3F)c2s1
InChIInChI=1S/C24H17FN4O2S/c1-29-12-11-27-23(29)21-14-18-22(32-21)20(9-10-26-18)31-19-8-7-16(13-17(19)25)28-24(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30)
InChIKeyBMZQBPBLUPWRAI-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.88
Rot. Bonds5

About N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide

N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide (PubChem CID 25054856) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
PubChem CID25054856
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC NameN-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4ccccc4)cc3F)c2s1
InChIInChI=1S/C24H17FN4O2S/c1-29-12-11-27-23(29)21-14-18-22(32-21)20(9-10-26-18)31-19-8-7-16(13-17(19)25)28-24(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30)
InChIKeyBMZQBPBLUPWRAI-UHFFFAOYSA-N
XLogP5.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?
The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide (CID 25054856) is N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?
The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide is Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4ccccc4)cc3F)c2s1.
What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?
The InChIKey is BMZQBPBLUPWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c1-29-12-11-27-23(29)21-14-18-22(32-21)20(9-10-26-18)31-19-8-7-16(13-17(19)25)28-24(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30).
What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?
N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide is sourced from PubChem (CID 25054856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).