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

C23H21F2N5O2S — CID 59525713

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCn1cc(-c2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)cn1
InChIInChI=1S/C23H21F2N5O2S/c1-23(2,32)13-7-15(24)20(16(25)8-13)18-9-14(21(26)31)22(33-18)29-19-6-4-5-17(28-19)12-10-27-30(3)11-12/h4-11,32H,1-3H3,(H2,26,31)(H,28,29)
InChIKeyRQBVMGXZVAHIOR-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.56
Rot. Bonds6

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525713) has the molecular formula C23H21F2N5O2S and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525713
Molecular FormulaC23H21F2N5O2S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCn1cc(-c2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)cn1
InChIInChI=1S/C23H21F2N5O2S/c1-23(2,32)13-7-15(24)20(16(25)8-13)18-9-14(21(26)31)22(33-18)29-19-6-4-5-17(28-19)12-10-27-30(3)11-12/h4-11,32H,1-3H3,(H2,26,31)(H,28,29)
InChIKeyRQBVMGXZVAHIOR-UHFFFAOYSA-N
XLogP4.56
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 68062166
N-(3-fluoro-2-pyridinyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062187
N-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-5-(3-pyridyl)thiophene-2-carboxamide
CID 5481920
3-[[2-Fluoro-4-(trifluoromethyl)benzoyl]-isopropyl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid
CID 24936537
Azane;3-[(4-methylcyclohexanecarbonyl)-(2,2,2-trifluoroethyl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid
CID 25110609
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-phenyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123166
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-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(pyrrolidin-3-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125834
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(1,3-thiazol-2-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126164
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methylpyrazol-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126500

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525713) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is Cn1cc(-c2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)cn1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is RQBVMGXZVAHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2S/c1-23(2,32)13-7-15(24)20(16(25)8-13)18-9-14(21(26)31)22(33-18)29-19-6-4-5-17(28-19)12-10-27-30(3)11-12/h4-11,32H,1-3H3,(H2,26,31)(H,28,29).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).