1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid

C15H19N3O2 — CID 175435103

IUPAC1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)n(CCNC2CC2)c2cccnc12
InChIInChI=1S/C15H19N3O2/c1-2-11-13-12(4-3-7-17-13)18(14(11)15(19)20)9-8-16-10-5-6-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3,(H,19,20)
InChIKeyKEZSKEJJKMXCSA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds6

About 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid

1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 175435103) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID175435103
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)n(CCNC2CC2)c2cccnc12
InChIInChI=1S/C15H19N3O2/c1-2-11-13-12(4-3-7-17-13)18(14(11)15(19)20)9-8-16-10-5-6-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3,(H,19,20)
InChIKeyKEZSKEJJKMXCSA-UHFFFAOYSA-N
XLogP2.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]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 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 175435103) is 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid is CCc1c(C(=O)O)n(CCNC2CC2)c2cccnc12.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is KEZSKEJJKMXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-11-13-12(4-3-7-17-13)18(14(11)15(19)20)9-8-16-10-5-6-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 175435103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).