2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

C24H25FN4O3 — CID 139402131

IUPAC2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCN(c2cncc(N(c3ccccc3)c3cccc(F)c3)n2)CC1
InChIInChI=1S/C24H25FN4O3/c25-19-5-4-8-21(13-19)29(20-6-2-1-3-7-20)23-15-26-14-22(27-23)28-11-9-18(10-12-28)16-32-17-24(30)31/h1-8,13-15,18H,9-12,16-17H2,(H,30,31)
InChIKeyZRELPVCULQHBLH-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.40
Rot. Bonds8

About 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid

2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 139402131) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
PubChem CID139402131
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCN(c2cncc(N(c3ccccc3)c3cccc(F)c3)n2)CC1
InChIInChI=1S/C24H25FN4O3/c25-19-5-4-8-21(13-19)29(20-6-2-1-3-7-20)23-15-26-14-22(27-23)28-11-9-18(10-12-28)16-32-17-24(30)31/h1-8,13-15,18H,9-12,16-17H2,(H,30,31)
InChIKeyZRELPVCULQHBLH-UHFFFAOYSA-N
XLogP4.40
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[1-[6-(N-[3-(difluoromethoxy)phenyl]anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate
CID 139402208
tert-butyl 2-[[1-[6-(N-(4-methoxyphenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate
CID 139402198
2-[[4-[6-(N-phenylanilino)pyrazin-2-yl]cyclohexyl]methoxy]acetic acid
CID 158975082
tert-butyl 2-[[1-[6-(N-[4-(difluoromethoxy)phenyl]anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;4-(difluoromethoxy)aniline;4-(difluoromethoxy)-N-phenylaniline;2-[[1-[6-(N-[4-(difluoromethoxy)phenyl]anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;hydroiodide
CID 158443104
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
2-[[4-[6-(N-cyclohexa-1,5-dien-1-ylanilino)pyrazin-2-yl]cyclohexyl]methoxy]acetic acid
CID 155395293
2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(6-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]-N-methylsulfonylacetamide;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)-3-methoxyanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid
CID 159849536
ethyl 2-[[4-[6-(N-phenylanilino)pyrazin-2-yl]cyclohex-3-en-1-yl]methoxy]acetate
CID 139402195
tert-butyl 2-[[1-[6-(N-(4-chlorophenyl)anilino)pyrazin-2-yl]-4-fluoropiperidin-4-yl]methoxy]acetate
CID 139402152
2-[[4-[[4-(3-fluorophenyl)-5-methyl-3-phenylpyrazol-1-yl]methyl]cyclohexyl]methoxy]acetic acid
CID 58433300
2-[[4-[[4-(3-fluorophenyl)-3-phenyl-5-propylpyrazol-1-yl]methyl]cyclohexyl]methoxy]acetic acid
CID 58433445
2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 114335425

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (CID 139402131) is 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is O=C(O)COCC1CCN(c2cncc(N(c3ccccc3)c3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
The InChIKey is ZRELPVCULQHBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-19-5-4-8-21(13-19)29(20-6-2-1-3-7-20)23-15-26-14-22(27-23)28-11-9-18(10-12-28)16-32-17-24(30)31/h1-8,13-15,18H,9-12,16-17H2,(H,30,31).
What are the key properties of 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid?
2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid has a molecular weight of 436.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[6-(N-(3-fluorophenyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 139402131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).