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

C23H21F2N5O3S — CID 59525631

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nnc(-c2ccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)nc2C)o1
InChIInChI=1S/C23H21F2N5O3S/c1-10-13(21-30-29-11(2)33-21)5-6-18(27-10)28-22-14(20(26)31)9-17(34-22)19-15(24)7-12(8-16(19)25)23(3,4)32/h5-9,32H,1-4H3,(H2,26,31)(H,27,28)
InChIKeyYEXPYUWCJGKFME-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.83
Rot. Bonds6

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525631) has the molecular formula C23H21F2N5O3S and a molecular weight of 485.52 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525631
Molecular FormulaC23H21F2N5O3S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nnc(-c2ccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)nc2C)o1
InChIInChI=1S/C23H21F2N5O3S/c1-10-13(21-30-29-11(2)33-21)5-6-18(27-10)28-22-14(20(26)31)9-17(34-22)19-15(24)7-12(8-16(19)25)23(3,4)32/h5-9,32H,1-4H3,(H2,26,31)(H,27,28)
InChIKeyYEXPYUWCJGKFME-UHFFFAOYSA-N
XLogP4.83
TPSA127.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-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-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525631) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nnc(-c2ccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)nc2C)o1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is YEXPYUWCJGKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3S/c1-10-13(21-30-29-11(2)33-21)5-6-18(27-10)28-22-14(20(26)31)9-17(34-22)19-15(24)7-12(8-16(19)25)23(3,4)32/h5-9,32H,1-4H3,(H2,26,31)(H,27,28).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).