4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide

C20H25N5O2 — CID 142296549

IUPAC4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)N(C1CC1)C(C)C(=O)N2C
InChIInChI=1S/C20H25N5O2/c1-11-18(12(2)24(5)22-11)21-19(26)14-6-9-16-17(10-14)25(15-7-8-15)13(3)20(27)23(16)4/h6,9-10,13,15H,7-8H2,1-5H3,(H,21,26)
InChIKeyBJHFEXZSRFMCIE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.62
Rot. Bonds3

About 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide

4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide (PubChem CID 142296549) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide
PubChem CID142296549
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)N(C1CC1)C(C)C(=O)N2C
InChIInChI=1S/C20H25N5O2/c1-11-18(12(2)24(5)22-11)21-19(26)14-6-9-16-17(10-14)25(15-7-8-15)13(3)20(27)23(16)4/h6,9-10,13,15H,7-8H2,1-5H3,(H,21,26)
InChIKeyBJHFEXZSRFMCIE-UHFFFAOYSA-N
XLogP2.62
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide 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 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide (CID 142296549) is 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)N(C1CC1)C(C)C(=O)N2C.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide?
The InChIKey is BJHFEXZSRFMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-11-18(12(2)24(5)22-11)21-19(26)14-6-9-16-17(10-14)25(15-7-8-15)13(3)20(27)23(16)4/h6,9-10,13,15H,7-8H2,1-5H3,(H,21,26).
What are the key properties of 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide?
4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142296549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).