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

C18H17F2N7 — CID 11210875

IUPAC2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(CF)nc12
InChIInChI=1S/C18H17F2N7/c1-2-4-12-14(23-11-27-17(12)24-15(9-19)25-27)10-26-8-7-22-18(26)16-13(20)5-3-6-21-16/h3,5-8,11H,2,4,9-10H2,1H3
InChIKeyXLBLTGCZHQLTHS-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.99
Rot. Bonds6

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

2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11210875) has the molecular formula C18H17F2N7 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11210875
Molecular FormulaC18H17F2N7
Molecular Weight369.38 g/mol
Exact Mass369.15
IUPAC Name2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(CF)nc12
InChIInChI=1S/C18H17F2N7/c1-2-4-12-14(23-11-27-17(12)24-15(9-19)25-27)10-26-8-7-22-18(26)16-13(20)5-3-6-21-16/h3,5-8,11H,2,4,9-10H2,1H3
InChIKeyXLBLTGCZHQLTHS-UHFFFAOYSA-N
XLogP2.99
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-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-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11210875) is 2-(fluoromethyl)-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-(fluoromethyl)-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-(fluoromethyl)-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(CF)nc12.
What is the InChIKey of 2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is XLBLTGCZHQLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7/c1-2-4-12-14(23-11-27-17(12)24-15(9-19)25-27)10-26-8-7-22-18(26)16-13(20)5-3-6-21-16/h3,5-8,11H,2,4,9-10H2,1H3.
What are the key properties of 2-(fluoromethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-(fluoromethyl)-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 369.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-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 11210875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).