2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

C19H20FN7O — CID 11440417

IUPAC2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OCC)nc12
InChIInChI=1S/C19H20FN7O/c1-3-6-13-15(23-12-27-17(13)24-19(25-27)28-4-2)11-26-10-9-22-18(26)16-14(20)7-5-8-21-16/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKeyLXWBGHJXKKIHGA-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.92
Rot. Bonds7

About 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11440417) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11440417
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OCC)nc12
InChIInChI=1S/C19H20FN7O/c1-3-6-13-15(23-12-27-17(13)24-19(25-27)28-4-2)11-26-10-9-22-18(26)16-14(20)7-5-8-21-16/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKeyLXWBGHJXKKIHGA-UHFFFAOYSA-N
XLogP2.92
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11440417) is 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OCC)nc12.
What is the InChIKey of 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is LXWBGHJXKKIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-3-6-13-15(23-12-27-17(13)24-19(25-27)28-4-2)11-26-10-9-22-18(26)16-14(20)7-5-8-21-16/h5,7-10,12H,3-4,6,11H2,1-2H3.
What are the key properties of 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 381.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11440417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).