[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone

C19H9F5N2O2S — CID 19571604

IUPAC[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)cc(-c3ccco3)c12
InChIInChI=1S/C19H9F5N2O2S/c20-8-3-4-9(11(21)6-8)16(27)17-15(25)14-10(12-2-1-5-28-12)7-13(19(22,23)24)26-18(14)29-17/h1-7H,25H2
InChIKeyUIIBPBHIJYVORI-UHFFFAOYSA-N
MW424.35 g/mol
LogP5.67
Rot. Bonds3

About [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone

[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone (PubChem CID 19571604) has the molecular formula C19H9F5N2O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
PubChem CID19571604
Molecular FormulaC19H9F5N2O2S
Molecular Weight424.35 g/mol
Exact Mass424.03
IUPAC Name[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)cc(-c3ccco3)c12
InChIInChI=1S/C19H9F5N2O2S/c20-8-3-4-9(11(21)6-8)16(27)17-15(25)14-10(12-2-1-5-28-12)7-13(19(22,23)24)26-18(14)29-17/h1-7H,25H2
InChIKeyUIIBPBHIJYVORI-UHFFFAOYSA-N
XLogP5.67
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.35
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone (CID 19571604) is [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)cc(-c3ccco3)c12.
What is the InChIKey of [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is UIIBPBHIJYVORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F5N2O2S/c20-8-3-4-9(11(21)6-8)16(27)17-15(25)14-10(12-2-1-5-28-12)7-13(19(22,23)24)26-18(14)29-17/h1-7H,25H2.
What are the key properties of [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 424.35 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 19571604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).