3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid

C17H19N5O2 — CID 70664826

IUPAC3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnn(C)c1
InChIInChI=1S/C17H19N5O2/c1-10(2)22(4)16-15(12-8-18-21(3)9-12)19-13-6-5-11(17(23)24)7-14(13)20-16/h5-10H,1-4H3,(H,23,24)
InChIKeyWBKXSDADWYREDG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds4

About 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid

3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid (PubChem CID 70664826) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid
PubChem CID70664826
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnn(C)c1
InChIInChI=1S/C17H19N5O2/c1-10(2)22(4)16-15(12-8-18-21(3)9-12)19-13-6-5-11(17(23)24)7-14(13)20-16/h5-10H,1-4H3,(H,23,24)
InChIKeyWBKXSDADWYREDG-UHFFFAOYSA-N
XLogP2.57
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid (CID 70664826) is 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnn(C)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid?
The InChIKey is WBKXSDADWYREDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(2)22(4)16-15(12-8-18-21(3)9-12)19-13-6-5-11(17(23)24)7-14(13)20-16/h5-10H,1-4H3,(H,23,24).
What are the key properties of 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid?
3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]-2-(1-methylpyrazol-4-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70664826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).