8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C25H22FN5O — CID 58375643

IUPAC8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(Cc2nc3c(-c4ccc(F)cc4)cc(C)cn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-16-10-21(19-5-7-20(26)8-6-19)25-28-24(29-31(25)13-16)12-18-4-9-22(23(11-18)32-3)30-14-17(2)27-15-30/h4-11,13-15H,12H2,1-3H3
InChIKeyQHZDWFLIWFZEPQ-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.94
Rot. Bonds5

About 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58375643) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58375643
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(Cc2nc3c(-c4ccc(F)cc4)cc(C)cn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-16-10-21(19-5-7-20(26)8-6-19)25-28-24(29-31(25)13-16)12-18-4-9-22(23(11-18)32-3)30-14-17(2)27-15-30/h4-11,13-15H,12H2,1-3H3
InChIKeyQHZDWFLIWFZEPQ-UHFFFAOYSA-N
XLogP4.94
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]acetonitrile
CID 53339675
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
CID 161463309
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339454
2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-7-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58375669
2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
CID 161459860
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
CID 146993141
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidine
CID 157117174
[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
CID 161238815
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339786

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 58375643) is 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(Cc2nc3c(-c4ccc(F)cc4)cc(C)cn3n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QHZDWFLIWFZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-16-10-21(19-5-7-20(26)8-6-19)25-28-24(29-31(25)13-16)12-18-4-9-22(23(11-18)32-3)30-14-17(2)27-15-30/h4-11,13-15H,12H2,1-3H3.
What are the key properties of 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 427.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58375643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).