ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate

C20H18N4O3 — CID 663335

IUPACethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1
InChIInChI=1S/C20H18N4O3/c1-3-27-20(26)13-6-8-15(9-7-13)24-18(14-5-4-10-21-11-14)16-12(2)22-23-17(16)19(24)25/h4-11,18H,3H2,1-2H3,(H,22,23)
InChIKeyIBBYGPUGAJFHFW-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.04
Rot. Bonds4

About ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate

ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate (PubChem CID 663335) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate
PubChem CID663335
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1
InChIInChI=1S/C20H18N4O3/c1-3-27-20(26)13-6-8-15(9-7-13)24-18(14-5-4-10-21-11-14)16-12(2)22-23-17(16)19(24)25/h4-11,18H,3H2,1-2H3,(H,22,23)
InChIKeyIBBYGPUGAJFHFW-UHFFFAOYSA-N
XLogP3.04
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate 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 ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate?
The IUPAC name of ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate (CID 663335) is ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate.
What is the SMILES notation for ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate?
The canonical SMILES for ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate is CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1.
What is the InChIKey of ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate?
The InChIKey is IBBYGPUGAJFHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-27-20(26)13-6-8-15(9-7-13)24-18(14-5-4-10-21-11-14)16-12(2)22-23-17(16)19(24)25/h4-11,18H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate?
ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methyl-6-oxo-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate is sourced from PubChem (CID 663335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).