2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

C18H19N3O3 — CID 120517737

IUPAC2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2CN1C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C18H19N3O3/c22-17(14-10-19-21-8-4-3-7-15(14)21)20-11-13-6-2-1-5-12(13)9-16(20)18(23)24/h1-2,5-6,10,16H,3-4,7-9,11H2,(H,23,24)
InChIKeyYZVASBTVXPAFCQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.87
Rot. Bonds2

About 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (PubChem CID 120517737) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
PubChem CID120517737
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2CN1C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C18H19N3O3/c22-17(14-10-19-21-8-4-3-7-15(14)21)20-11-13-6-2-1-5-12(13)9-16(20)18(23)24/h1-2,5-6,10,16H,3-4,7-9,11H2,(H,23,24)
InChIKeyYZVASBTVXPAFCQ-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid with MolForge

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Related Compounds

[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
(3S)-2-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125163822
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
1-phenyl-2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 122138155
(3R)-2-(3-chloropyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124608307
(3S)-2-(3-chloropyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124608308
(3S)-2-(bicyclo[3.1.0]hexane-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895521
2-(cyclobutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62416386
(3R)-2-(1-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 103116430
(3R)-2-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124693385
(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2303227
2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43208679

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (CID 120517737) is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2CN1C(=O)c1cnn2c1CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The InChIKey is YZVASBTVXPAFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(14-10-19-21-8-4-3-7-15(14)21)20-11-13-6-2-1-5-12(13)9-16(20)18(23)24/h1-2,5-6,10,16H,3-4,7-9,11H2,(H,23,24).
What are the key properties of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is sourced from PubChem (CID 120517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).