4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde

C10H11N3O2 — CID 73013650

IUPAC4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCc1[nH]c2[nH]c(=O)c(C=O)c(N)c2c1C
InChIInChI=1S/C10H11N3O2/c1-4-5(2)12-9-7(4)8(11)6(3-14)10(15)13-9/h3H,1-2H3,(H4,11,12,13,15)
InChIKeyCKBGJURGGKJTHU-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.87
Rot. Bonds1

About 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde

4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 73013650) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID73013650
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCc1[nH]c2[nH]c(=O)c(C=O)c(N)c2c1C
InChIInChI=1S/C10H11N3O2/c1-4-5(2)12-9-7(4)8(11)6(3-14)10(15)13-9/h3H,1-2H3,(H4,11,12,13,15)
InChIKeyCKBGJURGGKJTHU-UHFFFAOYSA-N
XLogP0.87
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-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

5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135578192
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1,3,5,6-tetramethyl-
CID 215964
2,5,6-Trimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135730205
N-(3-cyano-4,5-dimethylpyrrol-2-yl)acetamide
CID 4271700
2-Chloroacetamido-3-carbamyl-4,5-dimethylpyrrole
CID 12515667
1,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 12539230
2-Cyclopentyl-5,6-dimethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136383803
5,6-Dimethyl-2-propan-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136383810
2,3-Diethyl-6-sulfanylidene-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 144382084
N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide
CID 3592943
N-(3-cyano-4-ethyl-5-methyl-1H-pyrrol-2-yl)acetamide
CID 3597291
1,3,6-trimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 12202602

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 73013650) is 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde is Cc1[nH]c2[nH]c(=O)c(C=O)c(N)c2c1C.
What is the InChIKey of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is CKBGJURGGKJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-4-5(2)12-9-7(4)8(11)6(3-14)10(15)13-9/h3H,1-2H3,(H4,11,12,13,15).
What are the key properties of 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 205.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethyl-6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 73013650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).