3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C12H10N4OS — CID 150454014

IUPAC3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c2cccnc2c1-c1sccc1N
InChIInChI=1S/C12H10N4OS/c13-6-3-5-18-11(6)8-9-7(2-1-4-15-9)16-10(8)12(14)17/h1-5,16H,13H2,(H2,14,17)
InChIKeyHOJYKTOEBKFAJH-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.97
Rot. Bonds2

About 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 150454014) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID150454014
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c2cccnc2c1-c1sccc1N
InChIInChI=1S/C12H10N4OS/c13-6-3-5-18-11(6)8-9-7(2-1-4-15-9)16-10(8)12(14)17/h1-5,16H,13H2,(H2,14,17)
InChIKeyHOJYKTOEBKFAJH-UHFFFAOYSA-N
XLogP1.97
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide 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 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 150454014) is 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is NC(=O)c1[nH]c2cccnc2c1-c1sccc1N.
What is the InChIKey of 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is HOJYKTOEBKFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-6-3-5-18-11(6)8-9-7(2-1-4-15-9)16-10(8)12(14)17/h1-5,16H,13H2,(H2,14,17).
What are the key properties of 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 150454014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).