methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate

C19H28N4O4 — CID 166618223

IUPACmethyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1n[nH]c2c1CCN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C19H28N4O4/c1-27-17(25)7-9-20-19(26)18-14-8-10-23(12-15(14)21-22-18)16(24)11-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,20,26)(H,21,22)
InChIKeyNNIYCRJYVNGFNY-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.56
Rot. Bonds6

About methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate

methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate (PubChem CID 166618223) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
PubChem CID166618223
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Namemethyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1n[nH]c2c1CCN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C19H28N4O4/c1-27-17(25)7-9-20-19(26)18-14-8-10-23(12-15(14)21-22-18)16(24)11-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,20,26)(H,21,22)
InChIKeyNNIYCRJYVNGFNY-UHFFFAOYSA-N
XLogP1.56
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166623423
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160
5-(cyclobutanecarbonyl)-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873553
5-(2-methoxyacetyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076223
4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one
CID 166620182
N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 72903585
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
CID 45161512
N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166620286
ethyl 3-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)amino]propanoate
CID 154563764
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079385

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate (CID 166618223) is methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1n[nH]c2c1CCN(C(=O)CC1CCCCC1)C2.
What is the InChIKey of methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate?
The InChIKey is NNIYCRJYVNGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-27-17(25)7-9-20-19(26)18-14-8-10-23(12-15(14)21-22-18)16(24)11-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,20,26)(H,21,22).
What are the key properties of methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate?
methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate has a molecular weight of 376.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 166618223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).