2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C20H20N4O3 — CID 126441239

IUPAC2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)n1
InChIInChI=1S/C20H20N4O3/c25-19(26)13-24-9-7-17(22-24)16-6-3-8-23(12-16)20(27)18-10-14-4-1-2-5-15(14)11-21-18/h1-2,4-5,7,9-11,16H,3,6,8,12-13H2,(H,25,26)/t16-/m1/s1
InChIKeyYTCHTKUDONAUOD-MRXNPFEDSA-N
MW364.41 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126441239) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126441239
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)n1
InChIInChI=1S/C20H20N4O3/c25-19(26)13-24-9-7-17(22-24)16-6-3-8-23(12-16)20(27)18-10-14-4-1-2-5-15(14)11-21-18/h1-2,4-5,7,9-11,16H,3,6,8,12-13H2,(H,25,26)/t16-/m1/s1
InChIKeyYTCHTKUDONAUOD-MRXNPFEDSA-N
XLogP2.54
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]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

2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119073577
2-[3-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439114
2-[3-[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126440008
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069700
2-[3-[(3R)-1-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126451242
2-[3-[1-(thiophene-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119071899
2-[3-[(3R)-1-(3-phenoxypropyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126431729
2-[3-[(3S)-1-[2-(2-methylphenoxy)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126433535
[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 119062968
2-[3-[(3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126448018
2-[3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072967
2-[3-[(3R)-1-(3-hydroxy-4-methoxybenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126450047

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126441239) is 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)n1.
What is the InChIKey of 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is YTCHTKUDONAUOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(26)13-24-9-7-17(22-24)16-6-3-8-23(12-16)20(27)18-10-14-4-1-2-5-15(14)11-21-18/h1-2,4-5,7,9-11,16H,3,6,8,12-13H2,(H,25,26)/t16-/m1/s1.
What are the key properties of 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 364.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126441239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).