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

C19H18FN7O2 — CID 69372966

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)nc(C)n2nc(C(=O)O)nc12
InChIInChI=1S/C19H18FN7O2/c1-3-5-12-14(23-11(2)27-17(12)24-16(25-27)19(28)29)10-26-9-8-22-18(26)15-13(20)6-4-7-21-15/h4,6-9H,3,5,10H2,1-2H3,(H,28,29)
InChIKeyISQGFENHMFEXFR-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.53
Rot. Bonds6

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid (PubChem CID 69372966) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid
PubChem CID69372966
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)nc(C)n2nc(C(=O)O)nc12
InChIInChI=1S/C19H18FN7O2/c1-3-5-12-14(23-11(2)27-17(12)24-16(25-27)19(28)29)10-26-9-8-22-18(26)15-13(20)6-4-7-21-15/h4,6-9H,3,5,10H2,1-2H3,(H,28,29)
InChIKeyISQGFENHMFEXFR-UHFFFAOYSA-N
XLogP2.53
TPSA111.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
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]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid (CID 69372966) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid is CCCc1c(Cn2ccnc2-c2ncccc2F)nc(C)n2nc(C(=O)O)nc12.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid?
The InChIKey is ISQGFENHMFEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-3-5-12-14(23-11(2)27-17(12)24-16(25-27)19(28)29)10-26-9-8-22-18(26)15-13(20)6-4-7-21-15/h4,6-9H,3,5,10H2,1-2H3,(H,28,29).
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid has a molecular weight of 395.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 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]-5-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 69372966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).