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

C17H15F2N7 — CID 11473727

IUPAC8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESFCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12
InChIInChI=1S/C17H15F2N7/c18-5-1-3-12-14(23-11-26-16(12)22-10-24-26)9-25-8-7-21-17(25)15-13(19)4-2-6-20-15/h2,4,6-8,10-11H,1,3,5,9H2
InChIKeyKNMRDOVCUPQPTJ-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.47
Rot. Bonds6

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

8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11473727) has the molecular formula C17H15F2N7 and a molecular weight of 355.35 g/mol. Its IUPAC name is 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11473727
Molecular FormulaC17H15F2N7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESFCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12
InChIInChI=1S/C17H15F2N7/c18-5-1-3-12-14(23-11-26-16(12)22-10-24-26)9-25-8-7-21-17(25)15-13(19)4-2-6-20-15/h2,4,6-8,10-11H,1,3,5,9H2
InChIKeyKNMRDOVCUPQPTJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11427692
2-[1-[[8-(3-fluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-3-carbonitrile
CID 11337408
6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one
CID 11302099
2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate
CID 71219337
3-cyclopropyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[4,5-c]pyridine
CID 150464587
ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
3-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542838
2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole
CID 20811977
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
CID 22379935
7-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 90095643
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11473727) is 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is FCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12.
What is the InChIKey of 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is KNMRDOVCUPQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7/c18-5-1-3-12-14(23-11-26-16(12)22-10-24-26)9-25-8-7-21-17(25)15-13(19)4-2-6-20-15/h2,4,6-8,10-11H,1,3,5,9H2.
What are the key properties of 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 355.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11473727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).