2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

C28H25FN6O2 — CID 59420960

IUPAC2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C28H25FN6O2/c29-24-14-21(4-5-23(24)27(36)31-15-18-7-10-37-11-8-18)26-17-33-28-32-16-22(35(28)34-26)13-19-3-6-25-20(12-19)2-1-9-30-25/h1-6,9,12,14,16-18H,7-8,10-11,13,15H2,(H,31,36)
InChIKeyAERFUSNTCLKJGF-UHFFFAOYSA-N
MW496.55 g/mol
LogP4.23
Rot. Bonds6

About 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (PubChem CID 59420960) has the molecular formula C28H25FN6O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
PubChem CID59420960
Molecular FormulaC28H25FN6O2
Molecular Weight496.55 g/mol
Exact Mass496.20
IUPAC Name2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESO=C(NCC1CCOCC1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C28H25FN6O2/c29-24-14-21(4-5-23(24)27(36)31-15-18-7-10-37-11-8-18)26-17-33-28-32-16-22(35(28)34-26)13-19-3-6-25-20(12-19)2-1-9-30-25/h1-6,9,12,14,16-18H,7-8,10-11,13,15H2,(H,31,36)
InChIKeyAERFUSNTCLKJGF-UHFFFAOYSA-N
XLogP4.23
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (CID 59420960) is 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is O=C(NCC1CCOCC1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The InChIKey is AERFUSNTCLKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2/c29-24-14-21(4-5-23(24)27(36)31-15-18-7-10-37-11-8-18)26-17-33-28-32-16-22(35(28)34-26)13-19-3-6-25-20(12-19)2-1-9-30-25/h1-6,9,12,14,16-18H,7-8,10-11,13,15H2,(H,31,36).
What are the key properties of 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide has a molecular weight of 496.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-4-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is sourced from PubChem (CID 59420960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).