2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid

C20H24FN3O3 — CID 154931087

IUPAC2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCN1C=C(OCc2cccc(C3CC3C(=O)O)c2F)C=CC1C1CCNN1
InChIInChI=1S/C20H24FN3O3/c1-24-10-13(5-6-18(24)17-7-8-22-23-17)27-11-12-3-2-4-14(19(12)21)15-9-16(15)20(25)26/h2-6,10,15-18,22-23H,7-9,11H2,1H3,(H,25,26)
InChIKeyATGKLWNDGXFBEE-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid

2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 154931087) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID154931087
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCN1C=C(OCc2cccc(C3CC3C(=O)O)c2F)C=CC1C1CCNN1
InChIInChI=1S/C20H24FN3O3/c1-24-10-13(5-6-18(24)17-7-8-22-23-17)27-11-12-3-2-4-14(19(12)21)15-9-16(15)20(25)26/h2-6,10,15-18,22-23H,7-9,11H2,1H3,(H,25,26)
InChIKeyATGKLWNDGXFBEE-UHFFFAOYSA-N
XLogP2.11
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[6-[(Z)-1,3-diaminoprop-1-enyl]-3-pyridinyl]oxymethyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 154931044
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
2-(3-ethoxy-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 82228543
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 170757322
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 67290266
2-(3-bromo-2-fluorophenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 106646947
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167980560

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid (CID 154931087) is 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid is CN1C=C(OCc2cccc(C3CC3C(=O)O)c2F)C=CC1C1CCNN1.
What is the InChIKey of 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ATGKLWNDGXFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-24-10-13(5-6-18(24)17-7-8-22-23-17)27-11-12-3-2-4-14(19(12)21)15-9-16(15)20(25)26/h2-6,10,15-18,22-23H,7-9,11H2,1H3,(H,25,26).
What are the key properties of 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[(1-methyl-2-pyrazolidin-3-yl-2H-pyridin-5-yl)oxymethyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154931087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).