propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate

C24H27N5O3 — CID 118080183

IUPACpropan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(=O)N1c2ccc(-c3cnn(Cc4ccccn4)c3)cc2N(C(=O)OC(C)C)CC1C
InChIInChI=1S/C24H27N5O3/c1-16(2)32-24(31)28-13-17(3)29(18(4)30)22-9-8-19(11-23(22)28)20-12-26-27(14-20)15-21-7-5-6-10-25-21/h5-12,14,16-17H,13,15H2,1-4H3
InChIKeyYYNYNYAZHGWNBN-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.10
Rot. Bonds4

About propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate

propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 118080183) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID118080183
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namepropan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(=O)N1c2ccc(-c3cnn(Cc4ccccn4)c3)cc2N(C(=O)OC(C)C)CC1C
InChIInChI=1S/C24H27N5O3/c1-16(2)32-24(31)28-13-17(3)29(18(4)30)22-9-8-19(11-23(22)28)20-12-26-27(14-20)15-21-7-5-6-10-25-21/h5-12,14,16-17H,13,15H2,1-4H3
InChIKeyYYNYNYAZHGWNBN-UHFFFAOYSA-N
XLogP4.10
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate 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 propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate (CID 118080183) is propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate is CC(=O)N1c2ccc(-c3cnn(Cc4ccccn4)c3)cc2N(C(=O)OC(C)C)CC1C.
What is the InChIKey of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is YYNYNYAZHGWNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16(2)32-24(31)28-13-17(3)29(18(4)30)22-9-8-19(11-23(22)28)20-12-26-27(14-20)15-21-7-5-6-10-25-21/h5-12,14,16-17H,13,15H2,1-4H3.
What are the key properties of propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-acetyl-3-methyl-7-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 118080183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).