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

C28H25FN6O2 — CID 59420910

IUPAC2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C28H25FN6O2/c29-24-14-19(4-9-23(24)27(37)33-20-5-7-22(36)8-6-20)26-16-32-28-31-15-21(35(28)34-26)13-17-3-10-25-18(12-17)2-1-11-30-25/h1-4,9-12,14-16,20,22,36H,5-8,13H2,(H,33,37)
InChIKeyDDEWGEQCOWKPGT-UHFFFAOYSA-N
MW496.55 g/mol
LogP4.10
Rot. Bonds5

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

2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (PubChem CID 59420910) has the molecular formula C28H25FN6O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
PubChem CID59420910
Molecular FormulaC28H25FN6O2
Molecular Weight496.55 g/mol
Exact Mass496.20
IUPAC Name2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C28H25FN6O2/c29-24-14-19(4-9-23(24)27(37)33-20-5-7-22(36)8-6-20)26-16-32-28-31-15-21(35(28)34-26)13-17-3-10-25-18(12-17)2-1-11-30-25/h1-4,9-12,14-16,20,22,36H,5-8,13H2,(H,33,37)
InChIKeyDDEWGEQCOWKPGT-UHFFFAOYSA-N
XLogP4.10
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide (CID 59420910) is 2-fluoro-N-(4-hydroxycyclohexyl)-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-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is O=C(NC1CCC(O)CC1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
The InChIKey is DDEWGEQCOWKPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2/c29-24-14-19(4-9-23(24)27(37)33-20-5-7-22(36)8-6-20)26-16-32-28-31-15-21(35(28)34-26)13-17-3-10-25-18(12-17)2-1-11-30-25/h1-4,9-12,14-16,20,22,36H,5-8,13H2,(H,33,37).
What are the key properties of 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide?
2-fluoro-N-(4-hydroxycyclohexyl)-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 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxycyclohexyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide is sourced from PubChem (CID 59420910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).