[6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone

C21H16FN5OS — CID 67909893

IUPAC[6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCNn2c1nc(-c1ccc(F)cc1)c2-c1ccncc1
InChIInChI=1S/C21H16FN5OS/c22-16-5-3-14(4-6-16)18-19(15-7-9-23-10-8-15)27-21(25-18)26(12-11-24-27)20(28)17-2-1-13-29-17/h1-10,13,24H,11-12H2
InChIKeyXGDOCXDQMXEHIG-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.02
Rot. Bonds3

About [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone

[6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone (PubChem CID 67909893) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone
PubChem CID67909893
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC Name[6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCNn2c1nc(-c1ccc(F)cc1)c2-c1ccncc1
InChIInChI=1S/C21H16FN5OS/c22-16-5-3-14(4-6-16)18-19(15-7-9-23-10-8-15)27-21(25-18)26(12-11-24-27)20(28)17-2-1-13-29-17/h1-10,13,24H,11-12H2
InChIKeyXGDOCXDQMXEHIG-UHFFFAOYSA-N
XLogP4.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone (CID 67909893) is [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCNn2c1nc(-c1ccc(F)cc1)c2-c1ccncc1.
What is the InChIKey of [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is XGDOCXDQMXEHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c22-16-5-3-14(4-6-16)18-19(15-7-9-23-10-8-15)27-21(25-18)26(12-11-24-27)20(28)17-2-1-13-29-17/h1-10,13,24H,11-12H2.
What are the key properties of [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone?
[6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 405.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 67909893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).