5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide

C19H16BrF3N4O3 — CID 129233156

IUPAC5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(C(O)CO)c(Br)c1
InChIInChI=1S/C19H16BrF3N4O3/c20-14-5-12(6-24-17(14)15(29)9-28)18(30)26-16-8-27(10-25-16)7-11-2-1-3-13(4-11)19(21,22)23/h1-6,8,10,15,28-29H,7,9H2,(H,26,30)
InChIKeyHTWQZTUMFNDYST-UHFFFAOYSA-N
MW485.26 g/mol
LogP3.39
Rot. Bonds6

About 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide

5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 129233156) has the molecular formula C19H16BrF3N4O3 and a molecular weight of 485.26 g/mol. Its IUPAC name is 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
PubChem CID129233156
Molecular FormulaC19H16BrF3N4O3
Molecular Weight485.26 g/mol
Exact Mass484.04
IUPAC Name5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(C(O)CO)c(Br)c1
InChIInChI=1S/C19H16BrF3N4O3/c20-14-5-12(6-24-17(14)15(29)9-28)18(30)26-16-8-27(10-25-16)7-11-2-1-3-13(4-11)19(21,22)23/h1-6,8,10,15,28-29H,7,9H2,(H,26,30)
InChIKeyHTWQZTUMFNDYST-UHFFFAOYSA-N
XLogP3.39
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.26
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233338
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
CID 134525338
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 134448042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide (CID 129233156) is 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(C(O)CO)c(Br)c1.
What is the InChIKey of 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is HTWQZTUMFNDYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O3/c20-14-5-12(6-24-17(14)15(29)9-28)18(30)26-16-8-27(10-25-16)7-11-2-1-3-13(4-11)19(21,22)23/h1-6,8,10,15,28-29H,7,9H2,(H,26,30).
What are the key properties of 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 485.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129233156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).