1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

C19H12BrF3N4 — CID 155389377

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2cnc3cnn(Cc4cncc(Br)c4)c3c2)c1
InChIInChI=1S/C19H12BrF3N4/c20-16-4-12(7-24-9-16)11-27-18-6-14(8-25-17(18)10-26-27)13-2-1-3-15(5-13)19(21,22)23/h1-10H,11H2
InChIKeyMPEYSTQCDRAJEP-UHFFFAOYSA-N
MW433.23 g/mol
LogP5.32
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389377) has the molecular formula C19H12BrF3N4 and a molecular weight of 433.23 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID155389377
Molecular FormulaC19H12BrF3N4
Molecular Weight433.23 g/mol
Exact Mass432.02
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2cnc3cnn(Cc4cncc(Br)c4)c3c2)c1
InChIInChI=1S/C19H12BrF3N4/c20-16-4-12(7-24-9-16)11-27-18-6-14(8-25-17(18)10-26-27)13-2-1-3-15(5-13)19(21,22)23/h1-10H,11H2
InChIKeyMPEYSTQCDRAJEP-UHFFFAOYSA-N
XLogP5.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.23
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 155389439
1-(pyridazin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 155388937
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
CID 155389957
1-[[(2R)-oxolan-2-yl]methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 175730577
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
CID 155399998
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine
CID 155399931
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine
CID 86699853
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426
methyl 5-bromo-3-methylpyridine-2-carboxylate;methyl 3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 158691953

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 155389377) is 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is FC(F)(F)c1cccc(-c2cnc3cnn(Cc4cncc(Br)c4)c3c2)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is MPEYSTQCDRAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3N4/c20-16-4-12(7-24-9-16)11-27-18-6-14(8-25-17(18)10-26-27)13-2-1-3-15(5-13)19(21,22)23/h1-10H,11H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 433.23 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).