5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H32N4O3 — CID 95205048

IUPAC5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](C)N1CCC(C)CC1)C2
InChIInChI=1S/C20H32N4O3/c1-13(2)11-24-17-7-10-23(12-16(17)18(21-24)20(26)27)19(25)15(4)22-8-5-14(3)6-9-22/h13-15H,5-12H2,1-4H3,(H,26,27)/t15-/m0/s1
InChIKeyVEAJERIJLCMKKK-HNNXBMFYSA-N
MW376.50 g/mol
LogP2.24
Rot. Bonds5

About 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 95205048) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID95205048
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](C)N1CCC(C)CC1)C2
InChIInChI=1S/C20H32N4O3/c1-13(2)11-24-17-7-10-23(12-16(17)18(21-24)20(26)27)19(25)15(4)22-8-5-14(3)6-9-22/h13-15H,5-12H2,1-4H3,(H,26,27)/t15-/m0/s1
InChIKeyVEAJERIJLCMKKK-HNNXBMFYSA-N
XLogP2.24
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56712497
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
(2R)-1-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 26138972
(5S)-5-(azepan-1-yl)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95219491
1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709110
1-ethyl-5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709009
[5-(4-methylpiperidin-1-yl)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45164677
5-acetyl-1-(cyanomethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82588832
N-cyclopentyl-1-(2-methylpropyl)-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232104
5-[2-(dimethylamino)propanoyl]-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56707831
5-(1-ethylpiperidine-4-carbonyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702189
5-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56705132

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 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) is 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](C)N1CCC(C)CC1)C2.
What is the InChIKey of 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is VEAJERIJLCMKKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-13(2)11-24-17-7-10-23(12-16(17)18(21-24)20(26)27)19(25)15(4)22-8-5-14(3)6-9-22/h13-15H,5-12H2,1-4H3,(H,26,27)/t15-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 95205048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).