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

C29H24F2N4O2 — CID 71666819

IUPAC2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C29H24F2N4O2/c30-25-14-19(4-5-24(25)29(36)34-22-7-10-37-11-8-22)21-15-26(31)28-33-16-23(35(28)17-21)13-18-3-6-27-20(12-18)2-1-9-32-27/h1-6,9,12,14-17,22H,7-8,10-11,13H2,(H,34,36)
InChIKeyJTRXJCGYIWZXQN-UHFFFAOYSA-N
MW498.53 g/mol
LogP5.33
Rot. Bonds5

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

2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide (PubChem CID 71666819) has the molecular formula C29H24F2N4O2 and a molecular weight of 498.53 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide
PubChem CID71666819
Molecular FormulaC29H24F2N4O2
Molecular Weight498.53 g/mol
Exact Mass498.19
IUPAC Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C29H24F2N4O2/c30-25-14-19(4-5-24(25)29(36)34-22-7-10-37-11-8-22)21-15-26(31)28-33-16-23(35(28)17-21)13-18-3-6-27-20(12-18)2-1-9-32-27/h1-6,9,12,14-17,22H,7-8,10-11,13H2,(H,34,36)
InChIKeyJTRXJCGYIWZXQN-UHFFFAOYSA-N
XLogP5.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide (CID 71666819) is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide?
The InChIKey is JTRXJCGYIWZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O2/c30-25-14-19(4-5-24(25)29(36)34-22-7-10-37-11-8-22)21-15-26(31)28-33-16-23(35(28)17-21)13-18-3-6-27-20(12-18)2-1-9-32-27/h1-6,9,12,14-17,22H,7-8,10-11,13H2,(H,34,36).
What are the key properties of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide?
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide has a molecular weight of 498.53 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 71666819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).