5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide

C25H25F2N5O4S — CID 59525617

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nnc(C(C)(C)O)o1
InChIInChI=1S/C25H25F2N5O4S/c1-11-13(21-31-32-23(36-21)25(4,5)35)6-7-18(29-11)30-22-14(20(28)33)10-17(37-22)19-15(26)8-12(9-16(19)27)24(2,3)34/h6-10,34-35H,1-5H3,(H2,28,33)(H,29,30)
InChIKeyBWPNMPMYVHHUIM-UHFFFAOYSA-N
MW529.57 g/mol
LogP4.74
Rot. Bonds7

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525617) has the molecular formula C25H25F2N5O4S and a molecular weight of 529.57 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525617
Molecular FormulaC25H25F2N5O4S
Molecular Weight529.57 g/mol
Exact Mass529.16
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nnc(C(C)(C)O)o1
InChIInChI=1S/C25H25F2N5O4S/c1-11-13(21-31-32-23(36-21)25(4,5)35)6-7-18(29-11)30-22-14(20(28)33)10-17(37-22)19-15(26)8-12(9-16(19)27)24(2,3)34/h6-10,34-35H,1-5H3,(H2,28,33)(H,29,30)
InChIKeyBWPNMPMYVHHUIM-UHFFFAOYSA-N
XLogP4.74
TPSA147.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-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-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525617) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-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-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nnc(C(C)(C)O)o1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is BWPNMPMYVHHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4S/c1-11-13(21-31-32-23(36-21)25(4,5)35)6-7-18(29-11)30-22-14(20(28)33)10-17(37-22)19-15(26)8-12(9-16(19)27)24(2,3)34/h6-10,34-35H,1-5H3,(H2,28,33)(H,29,30).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 529.57 g/mol, XLogP of 4.74, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).