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

C19H20FN7O — CID 11234380

IUPAC7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COC)nc12
InChIInChI=1S/C19H20FN7O/c1-3-5-13-15(22-12-27-18(13)24-17(25-27)11-28-2)10-26-9-8-21-19(26)14-6-4-7-16(20)23-14/h4,6-9,12H,3,5,10-11H2,1-2H3
InChIKeyRBLGHXBHKAXSQT-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.67
Rot. Bonds7

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

7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11234380) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11234380
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COC)nc12
InChIInChI=1S/C19H20FN7O/c1-3-5-13-15(22-12-27-18(13)24-17(25-27)11-28-2)10-26-9-8-21-19(26)14-6-4-7-16(20)23-14/h4,6-9,12H,3,5,10-11H2,1-2H3
InChIKeyRBLGHXBHKAXSQT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11234380) is 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COC)nc12.
What is the InChIKey of 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is RBLGHXBHKAXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-3-5-13-15(22-12-27-18(13)24-17(25-27)11-28-2)10-26-9-8-21-19(26)14-6-4-7-16(20)23-14/h4,6-9,12H,3,5,10-11H2,1-2H3.
What are the key properties of 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 381.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11234380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).