2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C25H26F3N3OS — CID 153445671

IUPAC2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2coc(C)c2C)c1
InChIInChI=1S/C25H26F3N3OS/c1-4-5-6-7-8-17-9-10-33-24(17)18-11-20(19-14-32-16(3)15(19)2)29-21(12-18)22-13-23(31-30-22)25(26,27)28/h9-14H,4-8H2,1-3H3,(H,30,31)
InChIKeyZSGFXCWBLGLZIM-UHFFFAOYSA-N
MW473.56 g/mol
LogP8.22
Rot. Bonds8

About 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 153445671) has the molecular formula C25H26F3N3OS and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID153445671
Molecular FormulaC25H26F3N3OS
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2coc(C)c2C)c1
InChIInChI=1S/C25H26F3N3OS/c1-4-5-6-7-8-17-9-10-33-24(17)18-11-20(19-14-32-16(3)15(19)2)29-21(12-18)22-13-23(31-30-22)25(26,27)28/h9-14H,4-8H2,1-3H3,(H,30,31)
InChIKeyZSGFXCWBLGLZIM-UHFFFAOYSA-N
XLogP8.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19508317
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19508367
4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509235
6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509284
4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509846
6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509896
4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19513116
6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19513166
3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19514651
6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19514701
4-[6-(4,5-Dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 140687256
2-[2-(3,5-Dimethylpyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl-4-(furan-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4382426

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 153445671) is 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2coc(C)c2C)c1.
What is the InChIKey of 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is ZSGFXCWBLGLZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3OS/c1-4-5-6-7-8-17-9-10-33-24(17)18-11-20(19-14-32-16(3)15(19)2)29-21(12-18)22-13-23(31-30-22)25(26,27)28/h9-14H,4-8H2,1-3H3,(H,30,31).
What are the key properties of 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 473.56 g/mol, XLogP of 8.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 153445671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).