7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide

C22H22N6O — CID 142903764

IUPAC7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide
SMILESCCCc1c(-c2ccc3ncc(C(N)=O)nc3c2)c(-c2cccc(C)n2)nn1C
InChIInChI=1S/C22H22N6O/c1-4-6-19-20(21(27-28(19)3)16-8-5-7-13(2)25-16)14-9-10-15-17(11-14)26-18(12-24-15)22(23)29/h5,7-12H,4,6H2,1-3H3,(H2,23,29)
InChIKeyDQTRMBNDFDKZGX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.45
Rot. Bonds5

About 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide

7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide (PubChem CID 142903764) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide
PubChem CID142903764
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide
SMILESCCCc1c(-c2ccc3ncc(C(N)=O)nc3c2)c(-c2cccc(C)n2)nn1C
InChIInChI=1S/C22H22N6O/c1-4-6-19-20(21(27-28(19)3)16-8-5-7-13(2)25-16)14-9-10-15-17(11-14)26-18(12-24-15)22(23)29/h5,7-12H,4,6H2,1-3H3,(H2,23,29)
InChIKeyDQTRMBNDFDKZGX-UHFFFAOYSA-N
XLogP3.45
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-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 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide?
The IUPAC name of 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide (CID 142903764) is 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide?
The canonical SMILES for 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide is CCCc1c(-c2ccc3ncc(C(N)=O)nc3c2)c(-c2cccc(C)n2)nn1C.
What is the InChIKey of 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide?
The InChIKey is DQTRMBNDFDKZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-4-6-19-20(21(27-28(19)3)16-8-5-7-13(2)25-16)14-9-10-15-17(11-14)26-18(12-24-15)22(23)29/h5,7-12H,4,6H2,1-3H3,(H2,23,29).
What are the key properties of 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide?
7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 142903764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).