2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide

C28H21FN8 — CID 135247078

IUPAC2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide
SMILESN/C(=N\Cc1ccccn1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C28H21FN8/c29-24-14-20(7-8-23(24)27(30)33-15-21-5-1-2-10-31-21)26-17-35-28-34-16-22(37(28)36-26)13-18-6-9-25-19(12-18)4-3-11-32-25/h1-12,14,16-17H,13,15H2,(H2,30,33)
InChIKeyJTXRETIDOLHZTD-UHFFFAOYSA-N
MW488.53 g/mol
LogP4.37
Rot. Bonds6

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

2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide (PubChem CID 135247078) has the molecular formula C28H21FN8 and a molecular weight of 488.53 g/mol. Its IUPAC name is 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide
PubChem CID135247078
Molecular FormulaC28H21FN8
Molecular Weight488.53 g/mol
Exact Mass488.19
IUPAC Name2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide
SMILESN/C(=N\Cc1ccccn1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C28H21FN8/c29-24-14-20(7-8-23(24)27(30)33-15-21-5-1-2-10-31-21)26-17-35-28-34-16-22(37(28)36-26)13-18-6-9-25-19(12-18)4-3-11-32-25/h1-12,14,16-17H,13,15H2,(H2,30,33)
InChIKeyJTXRETIDOLHZTD-UHFFFAOYSA-N
XLogP4.37
TPSA107.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;dihydrochloride
CID 67027449
N-cyclopropyl-2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420970
2-fluoro-N-propyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 134566434
6-[[2-(3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
CID 141215044
2-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420964
2-[[2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoyl]amino]-3,3-dimethylbutanoic acid
CID 77243604
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 122179445
2-fluoro-N-methyl-4-[6-(quinolin-6-ylmethyl)pyrrolo[1,2-b][1,2,4]triazin-3-yl]benzamide
CID 166940190
2-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420921
trans-(1S,2S)-2-[[[2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]phenyl]-hydroxymethyl]amino]cyclopentan-1-ol
CID 166562842
6-[[2-[3-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline-3-carboxylic acid
CID 172509870
3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile
CID 59420936

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide (CID 135247078) is 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide is N/C(=N\Cc1ccccn1)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide?
The InChIKey is JTXRETIDOLHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN8/c29-24-14-20(7-8-23(24)27(30)33-15-21-5-1-2-10-31-21)26-17-35-28-34-16-22(37(28)36-26)13-18-6-9-25-19(12-18)4-3-11-32-25/h1-12,14,16-17H,13,15H2,(H2,30,33).
What are the key properties of 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide?
2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide has a molecular weight of 488.53 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(pyridin-2-ylmethyl)-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzenecarboximidamide is sourced from PubChem (CID 135247078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).