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

C18H18FN7 — CID 11198924

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyUAMAIHOEGLEXSV-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.83
Rot. Bonds5

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11198924) has the molecular formula C18H18FN7 and a molecular weight of 351.39 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11198924
Molecular FormulaC18H18FN7
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyUAMAIHOEGLEXSV-UHFFFAOYSA-N
XLogP2.83
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11198924) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is UAMAIHOEGLEXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 351.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11198924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).