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

C24H20F2N4O2S — CID 59526048

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(-c4cccnc4)n3)s2)c(F)c1
InChIInChI=1S/C24H20F2N4O2S/c1-24(2,32)14-9-16(25)21(17(26)10-14)19-11-15(22(27)31)23(33-19)30-20-7-3-6-18(29-20)13-5-4-8-28-12-13/h3-12,32H,1-2H3,(H2,27,31)(H,29,30)
InChIKeyMBSUUYBLMHXVFG-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.22
Rot. Bonds6

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 59526048) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID59526048
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(-c4cccnc4)n3)s2)c(F)c1
InChIInChI=1S/C24H20F2N4O2S/c1-24(2,32)14-9-16(25)21(17(26)10-14)19-11-15(22(27)31)23(33-19)30-20-7-3-6-18(29-20)13-5-4-8-28-12-13/h3-12,32H,1-2H3,(H2,27,31)(H,29,30)
InChIKeyMBSUUYBLMHXVFG-UHFFFAOYSA-N
XLogP5.22
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-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-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide (CID 59526048) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-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-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(-c4cccnc4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is MBSUUYBLMHXVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c1-24(2,32)14-9-16(25)21(17(26)10-14)19-11-15(22(27)31)23(33-19)30-20-7-3-6-18(29-20)13-5-4-8-28-12-13/h3-12,32H,1-2H3,(H2,27,31)(H,29,30).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 5.22, 6 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-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).