3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C19H19F2N5OS — CID 23400967

IUPAC3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(N3CCC(N)CC3)cc(-c3ccc(F)cc3F)c2c1N
InChIInChI=1S/C19H19F2N5OS/c20-9-1-2-11(13(21)7-9)12-8-14(26-5-3-10(22)4-6-26)25-19-15(12)16(23)17(28-19)18(24)27/h1-2,7-8,10H,3-6,22-23H2,(H2,24,27)
InChIKeyDDXLMQIWDFWTFE-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400967) has the molecular formula C19H19F2N5OS and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400967
Molecular FormulaC19H19F2N5OS
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(N3CCC(N)CC3)cc(-c3ccc(F)cc3F)c2c1N
InChIInChI=1S/C19H19F2N5OS/c20-9-1-2-11(13(21)7-9)12-8-14(26-5-3-10(22)4-6-26)25-19-15(12)16(23)17(28-19)18(24)27/h1-2,7-8,10H,3-6,22-23H2,(H2,24,27)
InChIKeyDDXLMQIWDFWTFE-UHFFFAOYSA-N
XLogP2.85
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-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-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23400967) is 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(N3CCC(N)CC3)cc(-c3ccc(F)cc3F)c2c1N.
What is the InChIKey of 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DDXLMQIWDFWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5OS/c20-9-1-2-11(13(21)7-9)12-8-14(26-5-3-10(22)4-6-26)25-19-15(12)16(23)17(28-19)18(24)27/h1-2,7-8,10H,3-6,22-23H2,(H2,24,27).
What are the key properties of 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).