2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid

C20H21N5O3 — CID 110152162

IUPAC2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cc(CN2CCCC(c3nccnc3-c3ncc[nH]3)C2)ccc1O
InChIInChI=1S/C20H21N5O3/c26-16-4-3-13(10-15(16)20(27)28)11-25-9-1-2-14(12-25)17-18(22-6-5-21-17)19-23-7-8-24-19/h3-8,10,14,26H,1-2,9,11-12H2,(H,23,24)(H,27,28)
InChIKeySZGRJAUJYYGLQD-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.65
Rot. Bonds5

About 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid

2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid (PubChem CID 110152162) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid
PubChem CID110152162
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cc(CN2CCCC(c3nccnc3-c3ncc[nH]3)C2)ccc1O
InChIInChI=1S/C20H21N5O3/c26-16-4-3-13(10-15(16)20(27)28)11-25-9-1-2-14(12-25)17-18(22-6-5-21-17)19-23-7-8-24-19/h3-8,10,14,26H,1-2,9,11-12H2,(H,23,24)(H,27,28)
InChIKeySZGRJAUJYYGLQD-UHFFFAOYSA-N
XLogP2.65
TPSA115.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]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

[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125022986
6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
CID 110110865
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 110152190
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
CID 110110617
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid (CID 110152162) is 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid is O=C(O)c1cc(CN2CCCC(c3nccnc3-c3ncc[nH]3)C2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid?
The InChIKey is SZGRJAUJYYGLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-16-4-3-13(10-15(16)20(27)28)11-25-9-1-2-14(12-25)17-18(22-6-5-21-17)19-23-7-8-24-19/h3-8,10,14,26H,1-2,9,11-12H2,(H,23,24)(H,27,28).
What are the key properties of 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid?
2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid has a molecular weight of 379.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 110152162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).