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

C17H16FN7O — CID 11394060

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C17H16FN7O/c1-11-22-16-12(9-26-2)14(21-10-25(16)23-11)8-24-7-6-20-17(24)15-13(18)4-3-5-19-15/h3-7,10H,8-9H2,1-2H3
InChIKeyJFPWLZIMLNSFNL-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.03
Rot. Bonds5

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11394060) has the molecular formula C17H16FN7O and a molecular weight of 353.36 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11394060
Molecular FormulaC17H16FN7O
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C17H16FN7O/c1-11-22-16-12(9-26-2)14(21-10-25(16)23-11)8-24-7-6-20-17(24)15-13(18)4-3-5-19-15/h3-7,10H,8-9H2,1-2H3
InChIKeyJFPWLZIMLNSFNL-UHFFFAOYSA-N
XLogP2.03
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11394060) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine is COCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is JFPWLZIMLNSFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O/c1-11-22-16-12(9-26-2)14(21-10-25(16)23-11)8-24-7-6-20-17(24)15-13(18)4-3-5-19-15/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 353.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11394060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).