N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide

C17H21N5O3 — CID 118775590

IUPACN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCCN1Cc2nc(OC)c(CNC(=O)c3c(C)ncn3C)cc2C1=O
InChIInChI=1S/C17H21N5O3/c1-5-22-8-13-12(17(22)24)6-11(16(20-13)25-4)7-18-15(23)14-10(2)19-9-21(14)3/h6,9H,5,7-8H2,1-4H3,(H,18,23)
InChIKeyMZYUQADYJFHBBY-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.04
Rot. Bonds5

About N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide

N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 118775590) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID118775590
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCCN1Cc2nc(OC)c(CNC(=O)c3c(C)ncn3C)cc2C1=O
InChIInChI=1S/C17H21N5O3/c1-5-22-8-13-12(17(22)24)6-11(16(20-13)25-4)7-18-15(23)14-10(2)19-9-21(14)3/h6,9H,5,7-8H2,1-4H3,(H,18,23)
InChIKeyMZYUQADYJFHBBY-UHFFFAOYSA-N
XLogP1.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-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 N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide (CID 118775590) is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide is CCN1Cc2nc(OC)c(CNC(=O)c3c(C)ncn3C)cc2C1=O.
What is the InChIKey of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is MZYUQADYJFHBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-5-22-8-13-12(17(22)24)6-11(16(20-13)25-4)7-18-15(23)14-10(2)19-9-21(14)3/h6,9H,5,7-8H2,1-4H3,(H,18,23).
What are the key properties of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 118775590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).