2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid

C19H18FN7O2 — CID 69314438

IUPAC2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid
SMILESCCCc1c(C(C(=O)O)c2ccnn2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C19H18FN7O2/c1-3-5-12-16(22-10-26-17(12)24-11(2)25-26)15(19(28)29)14-7-9-23-27(14)18-13(20)6-4-8-21-18/h4,6-10,15H,3,5H2,1-2H3,(H,28,29)
InChIKeyWWMDCFLLEHLYGZ-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid

2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid (PubChem CID 69314438) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid
PubChem CID69314438
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid
SMILESCCCc1c(C(C(=O)O)c2ccnn2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C19H18FN7O2/c1-3-5-12-16(22-10-26-17(12)24-11(2)25-26)15(19(28)29)14-7-9-23-27(14)18-13(20)6-4-8-21-18/h4,6-10,15H,3,5H2,1-2H3,(H,28,29)
InChIKeyWWMDCFLLEHLYGZ-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid?
The IUPAC name of 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid (CID 69314438) is 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid.
What is the SMILES notation for 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid?
The canonical SMILES for 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid is CCCc1c(C(C(=O)O)c2ccnn2-c2ncccc2F)ncn2nc(C)nc12.
What is the InChIKey of 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid?
The InChIKey is WWMDCFLLEHLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-3-5-12-16(22-10-26-17(12)24-11(2)25-26)15(19(28)29)14-7-9-23-27(14)18-13(20)6-4-8-21-18/h4,6-10,15H,3,5H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid?
2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid has a molecular weight of 395.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetic acid is sourced from PubChem (CID 69314438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).