6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C18H10ClF4N3S — CID 29091036

IUPAC6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H10ClF4N3S/c1-9-16-12(18(21,22)23)8-13(14-6-7-15(19)27-14)24-17(16)26(25-9)11-4-2-10(20)3-5-11/h2-8H,1H3
InChIKeyKXCPFILLHKVVPG-UHFFFAOYSA-N
MW411.81 g/mol
LogP6.27
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29091036) has the molecular formula C18H10ClF4N3S and a molecular weight of 411.81 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29091036
Molecular FormulaC18H10ClF4N3S
Molecular Weight411.81 g/mol
Exact Mass411.02
IUPAC Name6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H10ClF4N3S/c1-9-16-12(18(21,22)23)8-13(14-6-7-15(19)27-14)24-17(16)26(25-9)11-4-2-10(20)3-5-11/h2-8H,1H3
InChIKeyKXCPFILLHKVVPG-UHFFFAOYSA-N
XLogP6.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.81
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
3-(4-Chlorophenyl)-2,5-dimethyl-7-(prop-2-en-1-ylsulfanyl)pyrazolo[1,5-a]pyrimidine
CID 1835590
3-(4-Chlorophenyl)-7-(ethylsulfanyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3549318
6-Methyl-3-methylsulfanyl-1-(2,4,6-trichloro-phenyl)-4-(2-trifluoromethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 44266555
6-Amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile
CID 666603
3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 3877626
US11401286, Example 79
CID 74221496
6-amino-3-methyl-4-(thiophen-2-yl)-1-(p-tolyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 666154
2-Phenyl-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 737221
3-[3-Methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanethioamide
CID 2324541
3,4,6-Trimethyl-1-phenyl-5-thiophen-2-ylpyrazolo[3,4-b]pyridine
CID 137661259

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29091036) is 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is KXCPFILLHKVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF4N3S/c1-9-16-12(18(21,22)23)8-13(14-6-7-15(19)27-14)24-17(16)26(25-9)11-4-2-10(20)3-5-11/h2-8H,1H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 411.81 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-1-(4-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).