2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid

C20H18FN3O3 — CID 137487897

IUPAC2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(F)cc(CCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C20H18FN3O3/c21-14-8-12(7-13(9-14)16-10-17(16)20(25)26)4-6-27-15-1-2-18(22-11-15)19-3-5-23-24-19/h1-3,5,7-9,11,16-17H,4,6,10H2,(H,23,24)(H,25,26)
InChIKeyPENKBFZAPIKAHM-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.42
Rot. Bonds7

About 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid

2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 137487897) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID137487897
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(F)cc(CCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C20H18FN3O3/c21-14-8-12(7-13(9-14)16-10-17(16)20(25)26)4-6-27-15-1-2-18(22-11-15)19-3-5-23-24-19/h1-3,5,7-9,11,16-17H,4,6,10H2,(H,23,24)(H,25,26)
InChIKeyPENKBFZAPIKAHM-UHFFFAOYSA-N
XLogP3.42
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 155790650
US11365192, Example 70-2
CID 137487714
US11365192, Example 43-1
CID 137487865
US11365192, Example 11-1
CID 142526519
US11365192, Example 59-1
CID 142526587
US11365192, Example 70-1
CID 142526774
US11365192, Example 70-3
CID 142526822
US11365192, Example 60-1
CID 142526982
US11365192, Example 70-11
CID 142527051
US11365192, Example 74-4
CID 147678875

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid (CID 137487897) is 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cc(F)cc(CCOc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is PENKBFZAPIKAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-14-8-12(7-13(9-14)16-10-17(16)20(25)26)4-6-27-15-1-2-18(22-11-15)19-3-5-23-24-19/h1-3,5,7-9,11,16-17H,4,6,10H2,(H,23,24)(H,25,26).
What are the key properties of 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid?
2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 367.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 137487897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).