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

C24H19F3N2O4S — CID 1005220

IUPAC[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C24H19F3N2O4S/c1-31-14-7-4-12(5-8-14)16-11-15(24(25,26)27)19-20(28)22(34-23(19)29-16)21(30)13-6-9-17(32-2)18(10-13)33-3/h4-11H,28H2,1-3H3
InChIKeyRJTSUFZWUNQCNG-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.82
Rot. Bonds6

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

[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 1005220) has the molecular formula C24H19F3N2O4S and a molecular weight of 488.49 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID1005220
Molecular FormulaC24H19F3N2O4S
Molecular Weight488.49 g/mol
Exact Mass488.10
IUPAC Name[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C24H19F3N2O4S/c1-31-14-7-4-12(5-8-14)16-11-15(24(25,26)27)19-20(28)22(34-23(19)29-16)21(30)13-6-9-17(32-2)18(10-13)33-3/h4-11H,28H2,1-3H3
InChIKeyRJTSUFZWUNQCNG-UHFFFAOYSA-N
XLogP5.82
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone (CID 1005220) is [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is RJTSUFZWUNQCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4S/c1-31-14-7-4-12(5-8-14)16-11-15(24(25,26)27)19-20(28)22(34-23(19)29-16)21(30)13-6-9-17(32-2)18(10-13)33-3/h4-11H,28H2,1-3H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 488.49 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 1005220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).