5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C18H23N5O3 — CID 56717493

IUPAC5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(N1Cc3nc(C)n(C)c(=O)c3C1)C2
InChIInChI=1S/C18H23N5O3/c1-4-23-15-6-5-11(7-12(15)16(20-23)18(25)26)22-8-13-14(9-22)19-10(2)21(3)17(13)24/h11H,4-9H2,1-3H3,(H,25,26)
InChIKeyMABRMNUFCFZIQD-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.88
Rot. Bonds3

About 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 56717493) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID56717493
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(N1Cc3nc(C)n(C)c(=O)c3C1)C2
InChIInChI=1S/C18H23N5O3/c1-4-23-15-6-5-11(7-12(15)16(20-23)18(25)26)22-8-13-14(9-22)19-10(2)21(3)17(13)24/h11H,4-9H2,1-3H3,(H,25,26)
InChIKeyMABRMNUFCFZIQD-UHFFFAOYSA-N
XLogP0.88
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid 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 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 56717493) is 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CCC(N1Cc3nc(C)n(C)c(=O)c3C1)C2.
What is the InChIKey of 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is MABRMNUFCFZIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-23-15-6-5-11(7-12(15)16(20-23)18(25)26)22-8-13-14(9-22)19-10(2)21(3)17(13)24/h11H,4-9H2,1-3H3,(H,25,26).
What are the key properties of 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 56717493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).