1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one

C19H17N5O — CID 16730829

IUPAC1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one
SMILESCc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)n1
InChIInChI=1S/C19H17N5O/c1-12-5-4-6-15(22-12)17-18(23(2)24(3)19(17)25)13-7-8-14-16(11-13)21-10-9-20-14/h4-11H,1-3H3
InChIKeyRHRZBQLXSVYHNK-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.70
Rot. Bonds2

About 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one

1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one (PubChem CID 16730829) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one.

Molecular Properties

Compound Name1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one
PubChem CID16730829
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one
SMILESCc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)n1
InChIInChI=1S/C19H17N5O/c1-12-5-4-6-15(22-12)17-18(23(2)24(3)19(17)25)13-7-8-14-16(11-13)21-10-9-20-14/h4-11H,1-3H3
InChIKeyRHRZBQLXSVYHNK-UHFFFAOYSA-N
XLogP2.70
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one 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 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one?
The IUPAC name of 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one (CID 16730829) is 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one.
What is the SMILES notation for 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one?
The canonical SMILES for 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one is Cc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)n1.
What is the InChIKey of 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one?
The InChIKey is RHRZBQLXSVYHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-5-4-6-15(22-12)17-18(23(2)24(3)19(17)25)13-7-8-14-16(11-13)21-10-9-20-14/h4-11H,1-3H3.
What are the key properties of 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one?
1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one has a molecular weight of 331.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-one is sourced from PubChem (CID 16730829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).