5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one

C17H26N4O3 — CID 45245858

IUPAC5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
SMILESCCc1n[nH]c2c1CN(C(=O)C1CCC(=O)N(CCOC)C1)CC2
InChIInChI=1S/C17H26N4O3/c1-3-14-13-11-21(7-6-15(13)19-18-14)17(23)12-4-5-16(22)20(10-12)8-9-24-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyQMHVAVFVLKEQDB-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.74
Rot. Bonds5

About 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one

5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 45245858) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
PubChem CID45245858
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
SMILESCCc1n[nH]c2c1CN(C(=O)C1CCC(=O)N(CCOC)C1)CC2
InChIInChI=1S/C17H26N4O3/c1-3-14-13-11-21(7-6-15(13)19-18-14)17(23)12-4-5-16(22)20(10-12)8-9-24-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyQMHVAVFVLKEQDB-UHFFFAOYSA-N
XLogP0.74
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
Morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97461861
1-[3-(Morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
2-Methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 46168740
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 91925206
3-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 70779618
(6R)-8-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96398343
(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one
CID 126440091
ethyl 4-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)piperidine-1-carboxylate
CID 129610974
5-{2-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-3-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 129624002
[4-[(2Z,4Z)-4,5-difluoro-3-(trifluoromethyl)hexa-2,4-dien-2-yl]piperidin-1-yl]-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 142498965

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one (CID 45245858) is 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one is CCc1n[nH]c2c1CN(C(=O)C1CCC(=O)N(CCOC)C1)CC2.
What is the InChIKey of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is QMHVAVFVLKEQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-14-13-11-21(7-6-15(13)19-18-14)17(23)12-4-5-16(22)20(10-12)8-9-24-2/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 45245858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).