5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C19H20N4O3 — CID 56710658

IUPAC5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1ccc2cc(C(=O)N3CCc4c(c(C(=O)O)nn4C)C3)ccc21
InChIInChI=1S/C19H20N4O3/c1-3-22-8-6-12-10-13(4-5-15(12)22)18(24)23-9-7-16-14(11-23)17(19(25)26)20-21(16)2/h4-6,8,10H,3,7,9,11H2,1-2H3,(H,25,26)
InChIKeySUJVDWPXILLZNR-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds3

About 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56710658) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56710658
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1ccc2cc(C(=O)N3CCc4c(c(C(=O)O)nn4C)C3)ccc21
InChIInChI=1S/C19H20N4O3/c1-3-22-8-6-12-10-13(4-5-15(12)22)18(24)23-9-7-16-14(11-23)17(19(25)26)20-21(16)2/h4-6,8,10H,3,7,9,11H2,1-2H3,(H,25,26)
InChIKeySUJVDWPXILLZNR-UHFFFAOYSA-N
XLogP2.29
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56710658) is 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CCn1ccc2cc(C(=O)N3CCc4c(c(C(=O)O)nn4C)C3)ccc21.
What is the InChIKey of 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is SUJVDWPXILLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-22-8-6-12-10-13(4-5-15(12)22)18(24)23-9-7-16-14(11-23)17(19(25)26)20-21(16)2/h4-6,8,10H,3,7,9,11H2,1-2H3,(H,25,26).
What are the key properties of 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindole-5-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56710658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).