3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C18H11ClFN3OS2 — CID 1003444

IUPAC3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
InChIKeyNSFJHJZRXLGMGP-UHFFFAOYSA-N
MW403.89 g/mol
LogP5.65
Rot. Bonds3

About 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003444) has the molecular formula C18H11ClFN3OS2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003444
Molecular FormulaC18H11ClFN3OS2
Molecular Weight403.89 g/mol
Exact Mass403.00
IUPAC Name3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
InChIKeyNSFJHJZRXLGMGP-UHFFFAOYSA-N
XLogP5.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003456
3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 170044369
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 90205475
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 2067224
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 123187465
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
3-amino-6-(1,3-benzodioxol-5-yl)-N-(2,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4903539
3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 123161511

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1003444) is 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NSFJHJZRXLGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24).
What are the key properties of 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 5.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).