2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

C25H18ClFN4O — CID 122179440

IUPAC2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)ccc1Cl
InChIInChI=1S/C25H18ClFN4O/c1-28-25(32)20-11-16(5-6-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
InChIKeyAOVTWYQGWKGKDO-UHFFFAOYSA-N
MW444.90 g/mol
LogP5.29
Rot. Bonds4

About 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (PubChem CID 122179440) has the molecular formula C25H18ClFN4O and a molecular weight of 444.90 g/mol. Its IUPAC name is 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
PubChem CID122179440
Molecular FormulaC25H18ClFN4O
Molecular Weight444.90 g/mol
Exact Mass444.12
IUPAC Name2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)ccc1Cl
InChIInChI=1S/C25H18ClFN4O/c1-28-25(32)20-11-16(5-6-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
InChIKeyAOVTWYQGWKGKDO-UHFFFAOYSA-N
XLogP5.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.90
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (CID 122179440) is 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is CNC(=O)c1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The InChIKey is AOVTWYQGWKGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O/c1-28-25(32)20-11-16(5-6-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32).
What are the key properties of 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide has a molecular weight of 444.90 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 122179440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).