4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid

C18H22N4O4 — CID 118781481

IUPAC4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid
SMILESCNC(=O)c1n[nH]c2c1CN(CCCOc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C18H22N4O4/c1-19-17(23)16-14-11-22(9-7-15(14)20-21-16)8-2-10-26-13-5-3-12(4-6-13)18(24)25/h3-6H,2,7-11H2,1H3,(H,19,23)(H,20,21)(H,24,25)
InChIKeyZAGRVLIPXCJTIT-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.29
Rot. Bonds7

About 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid

4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid (PubChem CID 118781481) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid
PubChem CID118781481
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid
SMILESCNC(=O)c1n[nH]c2c1CN(CCCOc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C18H22N4O4/c1-19-17(23)16-14-11-22(9-7-15(14)20-21-16)8-2-10-26-13-5-3-12(4-6-13)18(24)25/h3-6H,2,7-11H2,1H3,(H,19,23)(H,20,21)(H,24,25)
InChIKeyZAGRVLIPXCJTIT-UHFFFAOYSA-N
XLogP1.29
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]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

3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 119073052
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
N-benzyl-5-(4-methoxybenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873475
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
CID 123952958
CID 123952958
2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 22980542

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid?
The IUPAC name of 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid (CID 118781481) is 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid.
What is the SMILES notation for 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid?
The canonical SMILES for 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid is CNC(=O)c1n[nH]c2c1CN(CCCOc1ccc(C(=O)O)cc1)CC2.
What is the InChIKey of 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid?
The InChIKey is ZAGRVLIPXCJTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-19-17(23)16-14-11-22(9-7-15(14)20-21-16)8-2-10-26-13-5-3-12(4-6-13)18(24)25/h3-6H,2,7-11H2,1H3,(H,19,23)(H,20,21)(H,24,25).
What are the key properties of 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid?
4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid has a molecular weight of 358.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid is sourced from PubChem (CID 118781481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).