3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid

C23H26N8O3 — CID 175533935

IUPAC3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid
SMILESCNc1nc(Nc2ccc(N(C)CCOC)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H26N8O3/c1-24-21-19(16-11-25-12-17-18(16)26-13-31(17)3)28-20(23(32)33)22(29-21)27-14-5-7-15(8-6-14)30(2)9-10-34-4/h5-8,11-13H,9-10H2,1-4H3,(H,32,33)(H2,24,27,29)
InChIKeyUROYHZBHMZBWLW-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.99
Rot. Bonds9

About 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid

3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid (PubChem CID 175533935) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid
PubChem CID175533935
Molecular FormulaC23H26N8O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid
SMILESCNc1nc(Nc2ccc(N(C)CCOC)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H26N8O3/c1-24-21-19(16-11-25-12-17-18(16)26-13-31(17)3)28-20(23(32)33)22(29-21)27-14-5-7-15(8-6-14)30(2)9-10-34-4/h5-8,11-13H,9-10H2,1-4H3,(H,32,33)(H2,24,27,29)
InChIKeyUROYHZBHMZBWLW-UHFFFAOYSA-N
XLogP2.99
TPSA130.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-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 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid (CID 175533935) is 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid is CNc1nc(Nc2ccc(N(C)CCOC)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid?
The InChIKey is UROYHZBHMZBWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-24-21-19(16-11-25-12-17-18(16)26-13-31(17)3)28-20(23(32)33)22(29-21)27-14-5-7-15(8-6-14)30(2)9-10-34-4/h5-8,11-13H,9-10H2,1-4H3,(H,32,33)(H2,24,27,29).
What are the key properties of 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid?
3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid has a molecular weight of 462.51 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 175533935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).