7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

C36H40N4O6 — CID 166151984

IUPAC7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)NCCOCCOCCN)cc(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)nn12
InChIInChI=1S/C36H40N4O6/c1-24-22-27(35(41)38-16-19-45-21-20-44-18-15-37)23-25(2)33(24)31-13-6-12-30-29(34(36(42)43)39-40(30)31)11-7-17-46-32-14-5-9-26-8-3-4-10-28(26)32/h3-6,8-10,12-14,22-23H,7,11,15-21,37H2,1-2H3,(H,38,41)(H,42,43)
InChIKeyBTUFAIQQQKTCAH-UHFFFAOYSA-N
MW624.74 g/mol
LogP5.20
Rot. Bonds16

About 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 166151984) has the molecular formula C36H40N4O6 and a molecular weight of 624.74 g/mol. Its IUPAC name is 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID166151984
Molecular FormulaC36H40N4O6
Molecular Weight624.74 g/mol
Exact Mass624.29
IUPAC Name7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)NCCOCCOCCN)cc(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)nn12
InChIInChI=1S/C36H40N4O6/c1-24-22-27(35(41)38-16-19-45-21-20-44-18-15-37)23-25(2)33(24)31-13-6-12-30-29(34(36(42)43)39-40(30)31)11-7-17-46-32-14-5-9-26-8-3-4-10-28(26)32/h3-6,8-10,12-14,22-23H,7,11,15-21,37H2,1-2H3,(H,38,41)(H,42,43)
InChIKeyBTUFAIQQQKTCAH-UHFFFAOYSA-N
XLogP5.20
TPSA137.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
N-(5-aminopentyl)-4-[2-(dihydroxymethyl)-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethylbenzamide
CID 167233133
3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
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3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
1-[3-(methylamino)propyl]-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;hydrochloride
CID 175730080
2-(3-naphthalen-1-yloxypropoxy)ethanamine
CID 82353335
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
CID 175730233
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 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) is 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is Cc1cc(C(=O)NCCOCCOCCN)cc(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)nn12.
What is the InChIKey of 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is BTUFAIQQQKTCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N4O6/c1-24-22-27(35(41)38-16-19-45-21-20-44-18-15-37)23-25(2)33(24)31-13-6-12-30-29(34(36(42)43)39-40(30)31)11-7-17-46-32-14-5-9-26-8-3-4-10-28(26)32/h3-6,8-10,12-14,22-23H,7,11,15-21,37H2,1-2H3,(H,38,41)(H,42,43).
What are the key properties of 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 624.74 g/mol, XLogP of 5.20, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2,6-dimethylphenyl]-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 166151984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).