4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide

C26H21FN4O2 — CID 122179441

IUPAC4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1OC
InChIInChI=1S/C26H21FN4O2/c1-28-26(32)21-7-6-17(13-24(21)33-2)19-12-22(27)25-30-14-20(31(25)15-19)11-16-5-8-23-18(10-16)4-3-9-29-23/h3-10,12-15H,11H2,1-2H3,(H,28,32)
InChIKeySVHVMOGGJNXSLT-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.65
Rot. Bonds5

About 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide

4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide (PubChem CID 122179441) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide
PubChem CID122179441
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1OC
InChIInChI=1S/C26H21FN4O2/c1-28-26(32)21-7-6-17(13-24(21)33-2)19-12-22(27)25-30-14-20(31(25)15-19)11-16-5-8-23-18(10-16)4-3-9-29-23/h3-10,12-15H,11H2,1-2H3,(H,28,32)
InChIKeySVHVMOGGJNXSLT-UHFFFAOYSA-N
XLogP4.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide (CID 122179441) is 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1OC.
What is the InChIKey of 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide?
The InChIKey is SVHVMOGGJNXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-28-26(32)21-7-6-17(13-24(21)33-2)19-12-22(27)25-30-14-20(31(25)15-19)11-16-5-8-23-18(10-16)4-3-9-29-23/h3-10,12-15H,11H2,1-2H3,(H,28,32).
What are the key properties of 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide?
4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide has a molecular weight of 440.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 122179441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).