5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C15H21N3O3 — CID 18754133

IUPAC5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCN(C)CC(C)(C)COc1ccc2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C15H21N3O3/c1-15(2,8-18(3)4)9-21-12-6-5-11-13(17-12)10(7-16-11)14(19)20/h5-7,16H,8-9H2,1-4H3,(H,19,20)
InChIKeyMRGWCJPFYUZECF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds6

About 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 18754133) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID18754133
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCN(C)CC(C)(C)COc1ccc2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C15H21N3O3/c1-15(2,8-18(3)4)9-21-12-6-5-11-13(17-12)10(7-16-11)14(19)20/h5-7,16H,8-9H2,1-4H3,(H,19,20)
InChIKeyMRGWCJPFYUZECF-UHFFFAOYSA-N
XLogP2.23
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-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 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 18754133) is 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is CN(C)CC(C)(C)COc1ccc2[nH]cc(C(=O)O)c2n1.
What is the InChIKey of 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is MRGWCJPFYUZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,8-18(3)4)9-21-12-6-5-11-13(17-12)10(7-16-11)14(19)20/h5-7,16H,8-9H2,1-4H3,(H,19,20).
What are the key properties of 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 18754133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).