3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C20H12Cl2FN3OS — CID 90205475

IUPAC3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3ccccc3F)ccc12
InChIInChI=1S/C20H12Cl2FN3OS/c21-10-5-7-13(22)16(9-10)25-19(27)18-17(24)12-6-8-15(26-20(12)28-18)11-3-1-2-4-14(11)23/h1-9H,24H2,(H,25,27)
InChIKeyGPGAVTRYKKERAD-UHFFFAOYSA-N
MW432.31 g/mol
LogP6.24
Rot. Bonds3

About 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90205475) has the molecular formula C20H12Cl2FN3OS and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID90205475
Molecular FormulaC20H12Cl2FN3OS
Molecular Weight432.31 g/mol
Exact Mass431.01
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3ccccc3F)ccc12
InChIInChI=1S/C20H12Cl2FN3OS/c21-10-5-7-13(22)16(9-10)25-19(27)18-17(24)12-6-8-15(26-20(12)28-18)11-3-1-2-4-14(11)23/h1-9H,24H2,(H,25,27)
InChIKeyGPGAVTRYKKERAD-UHFFFAOYSA-N
XLogP6.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.31
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003444
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-6-(1,3-benzodioxol-5-yl)-N-(2,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4903539
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23745625
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 90205475) is 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3ccccc3F)ccc12.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GPGAVTRYKKERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3OS/c21-10-5-7-13(22)16(9-10)25-19(27)18-17(24)12-6-8-15(26-20(12)28-18)11-3-1-2-4-14(11)23/h1-9H,24H2,(H,25,27).
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 6.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90205475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).