4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde

C9H9N3O — CID 82411213

IUPAC4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
SMILESCn1cc(C=O)c2c(N)nccc21
InChIInChI=1S/C9H9N3O/c1-12-4-6(5-13)8-7(12)2-3-11-9(8)10/h2-5H,1H3,(H2,10,11)
InChIKeyQUEXPBFYPPEAKM-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.97
Rot. Bonds1

About 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde

4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde (PubChem CID 82411213) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
PubChem CID82411213
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
SMILESCn1cc(C=O)c2c(N)nccc21
InChIInChI=1S/C9H9N3O/c1-12-4-6(5-13)8-7(12)2-3-11-9(8)10/h2-5H,1H3,(H2,10,11)
InChIKeyQUEXPBFYPPEAKM-UHFFFAOYSA-N
XLogP0.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethylpyrrolo[3,2-c]pyridin-4-amine;propane
CID 158248521
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 57443579
1-methylpyrazolo[4,3-c]pyridine-3,4-diamine
CID 144514733
6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 135394809
1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
CID 59805785
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-3-carbaldehyde
CID 170646066
4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 139331190
4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
CID 87204536
1,5-dimethylindole-3-carbaldehyde
CID 1419073
1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
CID 155748773
4-amino-5-methoxy-1-methylindole-3-carbaldehyde;ethanol;5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde
CID 159830125
1-methyl-5-trimethylsilylindole-3-carbaldehyde
CID 165354862

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde?
The IUPAC name of 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde (CID 82411213) is 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde is Cn1cc(C=O)c2c(N)nccc21.
What is the InChIKey of 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde?
The InChIKey is QUEXPBFYPPEAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-4-6(5-13)8-7(12)2-3-11-9(8)10/h2-5H,1H3,(H2,10,11).
What are the key properties of 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde?
4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 82411213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).