4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid

C16H17N5O2 — CID 21426002

IUPAC4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
SMILESCN1CCN(c2nc3ccccc3n3ncc(C(=O)O)c23)CC1
InChIInChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)15-14-11(16(22)23)10-17-21(14)13-5-3-2-4-12(13)18-15/h2-5,10H,6-9H2,1H3,(H,22,23)
InChIKeyQOXAZSXDDXNFIQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.33
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid

4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid (PubChem CID 21426002) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
PubChem CID21426002
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
SMILESCN1CCN(c2nc3ccccc3n3ncc(C(=O)O)c23)CC1
InChIInChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)15-14-11(16(22)23)10-17-21(14)13-5-3-2-4-12(13)18-15/h2-5,10H,6-9H2,1H3,(H,22,23)
InChIKeyQOXAZSXDDXNFIQ-UHFFFAOYSA-N
XLogP1.33
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid (CID 21426002) is 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid is CN1CCN(c2nc3ccccc3n3ncc(C(=O)O)c23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
The InChIKey is QOXAZSXDDXNFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)15-14-11(16(22)23)10-17-21(14)13-5-3-2-4-12(13)18-15/h2-5,10H,6-9H2,1H3,(H,22,23).
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid?
4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinoxaline-3-carboxylic acid is sourced from PubChem (CID 21426002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).