5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C22H24F2N4O2S — CID 59525586

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCN(C)Cc1ccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)nc1
InChIInChI=1S/C22H24F2N4O2S/c1-22(2,30)13-7-15(23)19(16(24)8-13)17-9-14(20(25)29)21(31-17)27-18-6-5-12(10-26-18)11-28(3)4/h5-10,30H,11H2,1-4H3,(H2,25,29)(H,26,27)
InChIKeyAFZDUJBWGKXTIK-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.22
Rot. Bonds7

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525586) has the molecular formula C22H24F2N4O2S and a molecular weight of 446.52 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525586
Molecular FormulaC22H24F2N4O2S
Molecular Weight446.52 g/mol
Exact Mass446.16
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCN(C)Cc1ccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)nc1
InChIInChI=1S/C22H24F2N4O2S/c1-22(2,30)13-7-15(23)19(16(24)8-13)17-9-14(20(25)29)21(31-17)27-18-6-5-12(10-26-18)11-28(3)4/h5-10,30H,11H2,1-4H3,(H2,25,29)(H,26,27)
InChIKeyAFZDUJBWGKXTIK-UHFFFAOYSA-N
XLogP4.22
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-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 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525586) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CN(C)Cc1ccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)nc1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is AFZDUJBWGKXTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2S/c1-22(2,30)13-7-15(23)19(16(24)8-13)17-9-14(20(25)29)21(31-17)27-18-6-5-12(10-26-18)11-28(3)4/h5-10,30H,11H2,1-4H3,(H2,25,29)(H,26,27).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).