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

C20H19F4N7O — CID 11247896

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(COCC(F)(F)F)nc12
InChIInChI=1S/C20H19F4N7O/c1-2-4-13-15(9-30-8-7-26-19(30)17-14(21)5-3-6-25-17)27-12-31-18(13)28-16(29-31)10-32-11-20(22,23)24/h3,5-8,12H,2,4,9-11H2,1H3
InChIKeyPNFBLOLXFIYSFD-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.60
Rot. Bonds8

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11247896) has the molecular formula C20H19F4N7O and a molecular weight of 449.41 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11247896
Molecular FormulaC20H19F4N7O
Molecular Weight449.41 g/mol
Exact Mass449.16
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(COCC(F)(F)F)nc12
InChIInChI=1S/C20H19F4N7O/c1-2-4-13-15(9-30-8-7-26-19(30)17-14(21)5-3-6-25-17)27-12-31-18(13)28-16(29-31)10-32-11-20(22,23)24/h3,5-8,12H,2,4,9-11H2,1H3
InChIKeyPNFBLOLXFIYSFD-UHFFFAOYSA-N
XLogP3.60
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.60
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-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11247896) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[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-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(COCC(F)(F)F)nc12.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is PNFBLOLXFIYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7O/c1-2-4-13-15(9-30-8-7-26-19(30)17-14(21)5-3-6-25-17)27-12-31-18(13)28-16(29-31)10-32-11-20(22,23)24/h3,5-8,12H,2,4,9-11H2,1H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 449.41 g/mol, XLogP of 3.60, 8 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-propyl-2-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11247896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).