5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine

C19H14BrF4N7 — CID 167422270

IUPAC5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine
SMILESCn1nnc(F)c1-c1cnn(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(Br)cn2)c1
InChIInChI=1S/C19H14BrF4N7/c1-30-17(18(21)28-29-30)12-8-27-31(10-12)15(14-4-3-13(20)9-25-14)6-11-2-5-16(26-7-11)19(22,23)24/h2-5,7-10,15H,6H2,1H3
InChIKeyFEOMRQKTLSZIIO-UHFFFAOYSA-N
MW496.27 g/mol
LogP4.22
Rot. Bonds5

About 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine

5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine (PubChem CID 167422270) has the molecular formula C19H14BrF4N7 and a molecular weight of 496.27 g/mol. Its IUPAC name is 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine
PubChem CID167422270
Molecular FormulaC19H14BrF4N7
Molecular Weight496.27 g/mol
Exact Mass495.04
IUPAC Name5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine
SMILESCn1nnc(F)c1-c1cnn(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(Br)cn2)c1
InChIInChI=1S/C19H14BrF4N7/c1-30-17(18(21)28-29-30)12-8-27-31(10-12)15(14-4-3-13(20)9-25-14)6-11-2-5-16(26-7-11)19(22,23)24/h2-5,7-10,15H,6H2,1H3
InChIKeyFEOMRQKTLSZIIO-UHFFFAOYSA-N
XLogP4.22
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US11530210, Example 39
CID 155388658
US11530210, Example 262
CID 155388700
US11530210, Example 235
CID 155388712
US11530210, Example 184
CID 155388721
US11530210, Example 260
CID 155388749
US11530210, Example 269
CID 155388765
US11530210, Example 190
CID 155388780
US11530210, Example 168
CID 155388785
US11530210, Example 218
CID 155388795
US11530210, Example 248
CID 155388797
US11530210, Example 191
CID 155388896
US11530210, Example 167
CID 155388978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
The IUPAC name of 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine (CID 167422270) is 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine is Cn1nnc(F)c1-c1cnn(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
The InChIKey is FEOMRQKTLSZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF4N7/c1-30-17(18(21)28-29-30)12-8-27-31(10-12)15(14-4-3-13(20)9-25-14)6-11-2-5-16(26-7-11)19(22,23)24/h2-5,7-10,15H,6H2,1H3.
What are the key properties of 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine has a molecular weight of 496.27 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine is sourced from PubChem (CID 167422270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).