2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

C20H22FN7O — CID 11326891

IUPAC2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COCC)nc12
InChIInChI=1S/C20H22FN7O/c1-3-6-14-16(23-13-28-19(14)25-18(26-28)12-29-4-2)11-27-10-9-22-20(27)15-7-5-8-17(21)24-15/h5,7-10,13H,3-4,6,11-12H2,1-2H3
InChIKeySCGMXMDBDVEBET-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.06
Rot. Bonds8

About 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11326891) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11326891
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COCC)nc12
InChIInChI=1S/C20H22FN7O/c1-3-6-14-16(23-13-28-19(14)25-18(26-28)12-29-4-2)11-27-10-9-22-20(27)15-7-5-8-17(21)24-15/h5,7-10,13H,3-4,6,11-12H2,1-2H3
InChIKeySCGMXMDBDVEBET-UHFFFAOYSA-N
XLogP3.06
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11326891) is 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COCC)nc12.
What is the InChIKey of 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is SCGMXMDBDVEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-3-6-14-16(23-13-28-19(14)25-18(26-28)12-29-4-2)11-27-10-9-22-20(27)15-7-5-8-17(21)24-15/h5,7-10,13H,3-4,6,11-12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 395.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11326891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).