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

C19H31N5O3 — CID 56702892

IUPAC5-[2-(4-methylpiperazin-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(C)N1CCN(C)CC1)C2
InChIInChI=1S/C19H31N5O3/c1-13(2)11-24-16-5-6-23(12-15(16)17(20-24)19(26)27)18(25)14(3)22-9-7-21(4)8-10-22/h13-14H,5-12H2,1-4H3,(H,26,27)
InChIKeyUDIMTAGMWGCJNL-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.76
Rot. Bonds5

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

5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56702892) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56702892
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name5-[2-(4-methylpiperazin-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(C)N1CCN(C)CC1)C2
InChIInChI=1S/C19H31N5O3/c1-13(2)11-24-16-5-6-23(12-15(16)17(20-24)19(26)27)18(25)14(3)22-9-7-21(4)8-10-22/h13-14H,5-12H2,1-4H3,(H,26,27)
InChIKeyUDIMTAGMWGCJNL-UHFFFAOYSA-N
XLogP0.76
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56702892) is 5-[2-(4-methylpiperazin-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-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylpiperazin-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(C)N1CCN(C)CC1)C2.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is UDIMTAGMWGCJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-13(2)11-24-16-5-6-23(12-15(16)17(20-24)19(26)27)18(25)14(3)22-9-7-21(4)8-10-22/h13-14H,5-12H2,1-4H3,(H,26,27).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 377.49 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56702892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).