4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid

C20H24FN3O2 — CID 110120546

IUPAC4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid
SMILESCC(C)N1CCC(Cc2cncc(-c3cc(F)ccc3C(=O)O)n2)CC1
InChIInChI=1S/C20H24FN3O2/c1-13(2)24-7-5-14(6-8-24)9-16-11-22-12-19(23-16)18-10-15(21)3-4-17(18)20(25)26/h3-4,10-14H,5-9H2,1-2H3,(H,25,26)
InChIKeyFLDOHRJKGQQGKR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.64
Rot. Bonds5

About 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid

4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid (PubChem CID 110120546) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid
PubChem CID110120546
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid
SMILESCC(C)N1CCC(Cc2cncc(-c3cc(F)ccc3C(=O)O)n2)CC1
InChIInChI=1S/C20H24FN3O2/c1-13(2)24-7-5-14(6-8-24)9-16-11-22-12-19(23-16)18-10-15(21)3-4-17(18)20(25)26/h3-4,10-14H,5-9H2,1-2H3,(H,25,26)
InChIKeyFLDOHRJKGQQGKR-UHFFFAOYSA-N
XLogP3.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic 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

2-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyrazin-2-yl]-4-fluorobenzoic acid
CID 125020327
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120451
2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]benzoic acid
CID 118741461
5-[6-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125011214
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
4-fluoro-2-[2-methyl-6-[(2S)-1-propan-2-ylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124971538
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120453
2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
CID 161026783
2-[1-[4-[6-(cyclopentylmethyl)pyrazin-2-yl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 159744896
4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
CID 54965819
4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374988
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid (CID 110120546) is 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid is CC(C)N1CCC(Cc2cncc(-c3cc(F)ccc3C(=O)O)n2)CC1.
What is the InChIKey of 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid?
The InChIKey is FLDOHRJKGQQGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(2)24-7-5-14(6-8-24)9-16-11-22-12-19(23-16)18-10-15(21)3-4-17(18)20(25)26/h3-4,10-14H,5-9H2,1-2H3,(H,25,26).
What are the key properties of 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid?
4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid has a molecular weight of 357.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 110120546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).