1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H23N3O4 — CID 56718461

IUPAC1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2
InChIInChI=1S/C20H23N3O4/c1-3-23-16-8-11-22(12-15(16)17(21-23)18(24)25)19(26)20(9-10-20)13-4-6-14(27-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,24,25)
InChIKeyGLWPIKWKQJSMOE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.23
Rot. Bonds5

About 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56718461) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56718461
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2
InChIInChI=1S/C20H23N3O4/c1-3-23-16-8-11-22(12-15(16)17(21-23)18(24)25)19(26)20(9-10-20)13-4-6-14(27-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,24,25)
InChIKeyGLWPIKWKQJSMOE-UHFFFAOYSA-N
XLogP2.23
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56713769
5-[2-(dimethylamino)propanoyl]-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56707831
1-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56706470
5-[(1R)-2,2-difluorocyclopropanecarbonyl]-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190026
5-(2,2-difluorocyclopropanecarbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702063
1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56715066
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 95712054
1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-imidazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718705
1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718617
5-ethyl-1-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614188
[1-(4-methoxyphenyl)cyclopropyl]-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 91831896
N-[[7-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42399137

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56718461) is 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2.
What is the InChIKey of 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is GLWPIKWKQJSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-23-16-8-11-22(12-15(16)17(21-23)18(24)25)19(26)20(9-10-20)13-4-6-14(27-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,24,25).
What are the key properties of 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56718461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).