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

C24H25F2N5O3S — CID 59525855

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCN1CCN(Cc2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)C1=O
InChIInChI=1S/C24H25F2N5O3S/c1-24(2,34)13-9-16(25)20(17(26)10-13)18-11-15(21(27)32)22(35-18)29-19-6-4-5-14(28-19)12-31-8-7-30(3)23(31)33/h4-6,9-11,34H,7-8,12H2,1-3H3,(H2,27,32)(H,28,29)
InChIKeyJALWDEAULLWJPT-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.03
Rot. Bonds7

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525855) has the molecular formula C24H25F2N5O3S and a molecular weight of 501.56 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525855
Molecular FormulaC24H25F2N5O3S
Molecular Weight501.56 g/mol
Exact Mass501.16
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCN1CCN(Cc2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)C1=O
InChIInChI=1S/C24H25F2N5O3S/c1-24(2,34)13-9-16(25)20(17(26)10-13)18-11-15(21(27)32)22(35-18)29-19-6-4-5-14(28-19)12-31-8-7-30(3)23(31)33/h4-6,9-11,34H,7-8,12H2,1-3H3,(H2,27,32)(H,28,29)
InChIKeyJALWDEAULLWJPT-UHFFFAOYSA-N
XLogP4.03
TPSA111.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
CID 25110598
5-[4-(2-Hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25124143
5-[2,6-Difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123163
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-phenyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123166
6-({3-(Aminocarbonyl)-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridine-2-carboxylic acid
CID 25123167
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
5-(2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl)-2-((6-(hydroxymethyl)-2-pyridinyl)amino)-3-thiophenecarboxamide
CID 25123485
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(2-hydroxy-1,2-dimethylpropyl)amino]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123488
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(3S)-3-methylmorpholin-4-yl]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123815
2-[[6-[(Dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide
CID 25123816
2-[[6-(Pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 25124141
5-(4-Fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125152

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525855) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CN1CCN(Cc2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)C1=O.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is JALWDEAULLWJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3S/c1-24(2,34)13-9-16(25)20(17(26)10-13)18-11-15(21(27)32)22(35-18)29-19-6-4-5-14(28-19)12-31-8-7-30(3)23(31)33/h4-6,9-11,34H,7-8,12H2,1-3H3,(H2,27,32)(H,28,29).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 4.03, 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-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).