3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

C21H18N2O3 — CID 175831683

IUPAC3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nn2ccccc2c1CCCOc1cccc2ccccc12
InChIInChI=1S/C21H18N2O3/c24-21(25)20-17(18-11-3-4-13-23(18)22-20)10-6-14-26-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-9,11-13H,6,10,14H2,(H,24,25)
InChIKeyGUNMBAZIPOIIKM-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.20
Rot. Bonds6

About 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 175831683) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID175831683
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nn2ccccc2c1CCCOc1cccc2ccccc12
InChIInChI=1S/C21H18N2O3/c24-21(25)20-17(18-11-3-4-13-23(18)22-20)10-6-14-26-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-9,11-13H,6,10,14H2,(H,24,25)
InChIKeyGUNMBAZIPOIIKM-UHFFFAOYSA-N
XLogP4.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methylamino)propyl]-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;hydrochloride
CID 175730080
7-[4-[5-[(2-carboxybenzoyl)amino]pentylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 171108094
7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 166151984
3-(3-naphthalen-1-yloxypropyl)-1-[(2-phenylphenyl)methyl]indole-2-carboxylic acid
CID 67315494
4-methyl-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-5-carboxylic acid
CID 82154141
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-4-carboxylic acid
CID 94760695
7-chloro-3-(3-naphthalen-1-yloxypropyl)-1-benzothiophene-2-carboxylic acid
CID 71545996
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
3-(3-naphthalen-1-yloxypropyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxylic acid
CID 91754241
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
CID 175730233
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 175831683) is 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1nn2ccccc2c1CCCOc1cccc2ccccc12.
What is the InChIKey of 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is GUNMBAZIPOIIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(25)20-17(18-11-3-4-13-23(18)22-20)10-6-14-26-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-9,11-13H,6,10,14H2,(H,24,25).
What are the key properties of 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 175831683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).