5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

C22H20FN5O2S — CID 59525726

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(-c4cn[nH]c4)n3)s2)c(F)c1
InChIInChI=1S/C22H20FN5O2S/c1-22(2,30)13-6-7-14(16(23)8-13)18-9-15(20(24)29)21(31-18)28-19-5-3-4-17(27-19)12-10-25-26-11-12/h3-11,30H,1-2H3,(H2,24,29)(H,25,26)(H,27,28)
InChIKeyJJOQRBNIZFBTAX-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.41
Rot. Bonds6

About 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525726) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525726
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(-c4cn[nH]c4)n3)s2)c(F)c1
InChIInChI=1S/C22H20FN5O2S/c1-22(2,30)13-6-7-14(16(23)8-13)18-9-15(20(24)29)21(31-18)28-19-5-3-4-17(27-19)12-10-25-26-11-12/h3-11,30H,1-2H3,(H2,24,29)(H,25,26)(H,27,28)
InChIKeyJJOQRBNIZFBTAX-UHFFFAOYSA-N
XLogP4.41
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2,6-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
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methylpyrazol-3-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126826
2-[(6-Cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 25128118
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548777
4-(2-hydroxypropan-2-yl)-N-(5-(3-(trifluoromethyl)-1H-pyrazol-4-yl)thiazolo[5,4-b]pyridin-2-yl)benzamide
CID 44548925
N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 44549072
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]thiophene-3-carboxamide
CID 44552733

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525726) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(-c4cn[nH]c4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is JJOQRBNIZFBTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-22(2,30)13-6-7-14(16(23)8-13)18-9-15(20(24)29)21(31-18)28-19-5-3-4-17(27-19)12-10-25-26-11-12/h3-11,30H,1-2H3,(H2,24,29)(H,25,26)(H,27,28).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1H-pyrazol-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).