1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine

C17H10F4N4S — CID 155399972

IUPAC1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1
InChIInChI=1S/C17H10F4N4S/c18-16-4-1-10(6-23-16)9-25-13-5-11(7-22-12(13)8-24-25)14-2-3-15(26-14)17(19,20)21/h1-8H,9H2
InChIKeyWCZNFQUFYVEIJE-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.76
Rot. Bonds3

About 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine

1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine (PubChem CID 155399972) has the molecular formula C17H10F4N4S and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine
PubChem CID155399972
Molecular FormulaC17H10F4N4S
Molecular Weight378.35 g/mol
Exact Mass378.06
IUPAC Name1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1
InChIInChI=1S/C17H10F4N4S/c18-16-4-1-10(6-23-16)9-25-13-5-11(7-22-12(13)8-24-25)14-2-3-15(26-14)17(19,20)21/h1-8H,9H2
InChIKeyWCZNFQUFYVEIJE-UHFFFAOYSA-N
XLogP4.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[4-[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943698
US10377753, Example 130
CID 124175977
US10377753, Example 438
CID 124176291
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155528043
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155541940
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
US10377753, Example 131
CID 124175985
US10377753, Example 639
CID 124176489
US20230339900, Example 118
CID 162760816
US20230339900, Example 145
CID 162760955

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine (CID 155399972) is 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine is Fc1ccc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)cn1.
What is the InChIKey of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine?
The InChIKey is WCZNFQUFYVEIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4S/c18-16-4-1-10(6-23-16)9-25-13-5-11(7-22-12(13)8-24-25)14-2-3-15(26-14)17(19,20)21/h1-8H,9H2.
What are the key properties of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine?
1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine has a molecular weight of 378.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-3-pyridinyl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).