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

C19H15BrF3N7 — CID 167422391

IUPAC5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine
SMILESCn1nncc1-c1cnn(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(Br)cn2)c1
InChIInChI=1S/C19H15BrF3N7/c1-29-17(10-26-28-29)13-8-27-30(11-13)16(15-4-3-14(20)9-24-15)6-12-2-5-18(25-7-12)19(21,22)23/h2-5,7-11,16H,6H2,1H3
InChIKeyYIAYIXSNNDMOQV-UHFFFAOYSA-N
MW478.28 g/mol
LogP4.08
Rot. Bonds5

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

5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine (PubChem CID 167422391) has the molecular formula C19H15BrF3N7 and a molecular weight of 478.28 g/mol. Its IUPAC name is 5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine
PubChem CID167422391
Molecular FormulaC19H15BrF3N7
Molecular Weight478.28 g/mol
Exact Mass477.05
IUPAC Name5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine
SMILESCn1nncc1-c1cnn(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(Br)cn2)c1
InChIInChI=1S/C19H15BrF3N7/c1-29-17(10-26-28-29)13-8-27-30(11-13)16(15-4-3-14(20)9-24-15)6-12-2-5-18(25-7-12)19(21,22)23/h2-5,7-11,16H,6H2,1H3
InChIKeyYIAYIXSNNDMOQV-UHFFFAOYSA-N
XLogP4.08
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
CID 1480373
2-(1-Methyl-1H-pyrazol-4-yl)-4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]pyridine
CID 56666809
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
l-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118059804
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
The IUPAC name of 5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine (CID 167422391) is 5-bromo-2-[1-[4-(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-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine is Cn1nncc1-c1cnn(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
The InChIKey is YIAYIXSNNDMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N7/c1-29-17(10-26-28-29)13-8-27-30(11-13)16(15-4-3-14(20)9-24-15)6-12-2-5-18(25-7-12)19(21,22)23/h2-5,7-11,16H,6H2,1H3.
What are the key properties of 5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine?
5-bromo-2-[1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine has a molecular weight of 478.28 g/mol, XLogP of 4.08, 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-(3-methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyridine is sourced from PubChem (CID 167422391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).