4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide

C12H10N4OS — CID 70950574

IUPAC4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(-n3cccc3)sc12
InChIInChI=1S/C12H10N4OS/c13-11-7-5-9(16-3-1-2-4-16)18-10(7)8(6-15-11)12(14)17/h1-6H,(H2,13,15)(H2,14,17)
InChIKeyQBNRPDARSUGESY-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.77
Rot. Bonds2

About 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide

4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 70950574) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID70950574
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(-n3cccc3)sc12
InChIInChI=1S/C12H10N4OS/c13-11-7-5-9(16-3-1-2-4-16)18-10(7)8(6-15-11)12(14)17/h1-6H,(H2,13,15)(H2,14,17)
InChIKeyQBNRPDARSUGESY-UHFFFAOYSA-N
XLogP1.77
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide (CID 70950574) is 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N)c2cc(-n3cccc3)sc12.
What is the InChIKey of 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is QBNRPDARSUGESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-11-7-5-9(16-3-1-2-4-16)18-10(7)8(6-15-11)12(14)17/h1-6H,(H2,13,15)(H2,14,17).
What are the key properties of 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 70950574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).