3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine

C19H17BrFN5O2 — CID 171799415

IUPAC3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine
SMILESCOCc1nnc(-c2cc(C)c3ncc(Br)n3c2)n1-c1ccc(F)c(OC)c1
InChIInChI=1S/C19H17BrFN5O2/c1-11-6-12(9-25-16(20)8-22-18(11)25)19-24-23-17(10-27-2)26(19)13-4-5-14(21)15(7-13)28-3/h4-9H,10H2,1-3H3
InChIKeyOZWCBYNTPFLWAE-UHFFFAOYSA-N
MW446.28 g/mol
LogP3.95
Rot. Bonds5

About 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine

3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 171799415) has the molecular formula C19H17BrFN5O2 and a molecular weight of 446.28 g/mol. Its IUPAC name is 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine
PubChem CID171799415
Molecular FormulaC19H17BrFN5O2
Molecular Weight446.28 g/mol
Exact Mass445.05
IUPAC Name3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine
SMILESCOCc1nnc(-c2cc(C)c3ncc(Br)n3c2)n1-c1ccc(F)c(OC)c1
InChIInChI=1S/C19H17BrFN5O2/c1-11-6-12(9-25-16(20)8-22-18(11)25)19-24-23-17(10-27-2)26(19)13-4-5-14(21)15(7-13)28-3/h4-9H,10H2,1-3H3
InChIKeyOZWCBYNTPFLWAE-UHFFFAOYSA-N
XLogP3.95
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 171799296
5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 70331922
3-bromo-7-methoxy-8-methylimidazo[1,2-a]pyridine
CID 130064778
2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
CID 66897358
4-(4-fluoro-3-methoxyphenyl)-3-propyl-1H-1,2,4-triazole-5-thione
CID 114840151
7-(4-fluoro-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 114840511
2-(4-isocyano-2-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 58997476
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
4-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840799
3-amino-4-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 114840887
4-(3-chloropropyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840800
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine (CID 171799415) is 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine is COCc1nnc(-c2cc(C)c3ncc(Br)n3c2)n1-c1ccc(F)c(OC)c1.
What is the InChIKey of 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is OZWCBYNTPFLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN5O2/c1-11-6-12(9-25-16(20)8-22-18(11)25)19-24-23-17(10-27-2)26(19)13-4-5-14(21)15(7-13)28-3/h4-9H,10H2,1-3H3.
What are the key properties of 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine?
3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 446.28 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 171799415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).