5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H23N3O4 — CID 95206724

IUPAC5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CCO)c2c1CN(C(=O)C[C@@H]1CCc3ccccc31)CC2
InChIInChI=1S/C20H23N3O4/c24-10-9-23-17-7-8-22(12-16(17)19(21-23)20(26)27)18(25)11-14-6-5-13-3-1-2-4-15(13)14/h1-4,14,24H,5-12H2,(H,26,27)/t14-/m0/s1
InChIKeyTXKNLBJFRMYAJL-AWEZNQCLSA-N
MW369.42 g/mol
LogP1.58
Rot. Bonds5

About 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 95206724) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID95206724
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CCO)c2c1CN(C(=O)C[C@@H]1CCc3ccccc31)CC2
InChIInChI=1S/C20H23N3O4/c24-10-9-23-17-7-8-22(12-16(17)19(21-23)20(26)27)18(25)11-14-6-5-13-3-1-2-4-15(13)14/h1-4,14,24H,5-12H2,(H,26,27)/t14-/m0/s1
InChIKeyTXKNLBJFRMYAJL-AWEZNQCLSA-N
XLogP1.58
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 95206724) is 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CCO)c2c1CN(C(=O)C[C@@H]1CCc3ccccc31)CC2.
What is the InChIKey of 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is TXKNLBJFRMYAJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-10-9-23-17-7-8-22(12-16(17)19(21-23)20(26)27)18(25)11-14-6-5-13-3-1-2-4-15(13)14/h1-4,14,24H,5-12H2,(H,26,27)/t14-/m0/s1.
What are the key properties of 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 95206724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).