5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C17H26N4O4 — CID 56702189

IUPAC5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCN1CCC(C(=O)N2CCc3c(c(C(=O)O)nn3CCO)C2)CC1
InChIInChI=1S/C17H26N4O4/c1-2-19-6-3-12(4-7-19)16(23)20-8-5-14-13(11-20)15(17(24)25)18-21(14)9-10-22/h12,22H,2-11H2,1H3,(H,24,25)
InChIKeyXKOSXWFARFHNJA-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.19
Rot. Bonds5

About 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56702189) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56702189
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCN1CCC(C(=O)N2CCc3c(c(C(=O)O)nn3CCO)C2)CC1
InChIInChI=1S/C17H26N4O4/c1-2-19-6-3-12(4-7-19)16(23)20-8-5-14-13(11-20)15(17(24)25)18-21(14)9-10-22/h12,22H,2-11H2,1H3,(H,24,25)
InChIKeyXKOSXWFARFHNJA-UHFFFAOYSA-N
XLogP0.19
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[(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
5-[(3S)-oxolane-3-carbonyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190815
ethyl 1-(2-hydroxyethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585817
1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 50831077
5-acetyl-1-(cyanomethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82588832
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
ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
CID 26232987
(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95205048
N-benzyl-5-cyclopentyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26229751

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56702189) is 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CCN1CCC(C(=O)N2CCc3c(c(C(=O)O)nn3CCO)C2)CC1.
What is the InChIKey of 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is XKOSXWFARFHNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-2-19-6-3-12(4-7-19)16(23)20-8-5-14-13(11-20)15(17(24)25)18-21(14)9-10-22/h12,22H,2-11H2,1H3,(H,24,25).
What are the key properties of 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56702189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).