6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid

C27H29N7O4 — CID 163273732

IUPAC6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESC=c1cnn(-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)O)n3C)/c1=C/C(=N/C)c1cnccc1OC
InChIInChI=1S/C27H29N7O4/c1-16-14-30-34(20(16)12-19(28-3)18-15-29-7-6-22(18)37-5)23-13-21-24(17(2)25(27(35)36)32(21)4)26(31-23)33-8-10-38-11-9-33/h6-7,12-15H,1,8-11H2,2-5H3,(H,35,36)/b20-12+,28-19-
InChIKeyGCMZDVKISSWVDN-UWGCKTCWSA-N
MW515.57 g/mol
LogP1.32
Rot. Bonds6

About 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid

6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 163273732) has the molecular formula C27H29N7O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID163273732
Molecular FormulaC27H29N7O4
Molecular Weight515.57 g/mol
Exact Mass515.23
IUPAC Name6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESC=c1cnn(-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)O)n3C)/c1=C/C(=N/C)c1cnccc1OC
InChIInChI=1S/C27H29N7O4/c1-16-14-30-34(20(16)12-19(28-3)18-15-29-7-6-22(18)37-5)23-13-21-24(17(2)25(27(35)36)32(21)4)26(31-23)33-8-10-38-11-9-33/h6-7,12-15H,1,8-11H2,2-5H3,(H,35,36)/b20-12+,28-19-
InChIKeyGCMZDVKISSWVDN-UWGCKTCWSA-N
XLogP1.32
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-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 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 163273732) is 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid is C=c1cnn(-c2cc3c(c(N4CCOCC4)n2)c(C)c(C(=O)O)n3C)/c1=C/C(=N/C)c1cnccc1OC.
What is the InChIKey of 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is GCMZDVKISSWVDN-UWGCKTCWSA-N. The full InChI is InChI=1S/C27H29N7O4/c1-16-14-30-34(20(16)12-19(28-3)18-15-29-7-6-22(18)37-5)23-13-21-24(17(2)25(27(35)36)32(21)4)26(31-23)33-8-10-38-11-9-33/h6-7,12-15H,1,8-11H2,2-5H3,(H,35,36)/b20-12+,28-19-.
What are the key properties of 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 515.57 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5E)-5-[2-(4-methoxy-3-pyridinyl)-2-methyliminoethylidene]-4-methylidenepyrazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 163273732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).