5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one

C24H22ClN5O2 — CID 58375688

IUPAC5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one
SMILESCOc1cc(Cc2nc3n(n2)C(c2ccc(Cl)cc2)CC(=O)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22ClN5O2/c1-15-13-29(14-26-15)20-8-3-16(9-22(20)32-2)10-23-27-24-12-19(31)11-21(30(24)28-23)17-4-6-18(25)7-5-17/h3-9,13-14,21H,10-12H2,1-2H3
InChIKeyVXOSOAZLVRHBFZ-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.13
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one

5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one (PubChem CID 58375688) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one
PubChem CID58375688
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one
SMILESCOc1cc(Cc2nc3n(n2)C(c2ccc(Cl)cc2)CC(=O)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22ClN5O2/c1-15-13-29(14-26-15)20-8-3-16(9-22(20)32-2)10-23-27-24-12-19(31)11-21(30(24)28-23)17-4-6-18(25)7-5-17/h3-9,13-14,21H,10-12H2,1-2H3
InChIKeyVXOSOAZLVRHBFZ-UHFFFAOYSA-N
XLogP4.13
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one with MolForge

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Related Compounds

2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
CID 161459860
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
CID 146993141
1-[(6R)-6-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 158370172
3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one
CID 59591030
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidine
CID 157117174
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
methyl 4-[(4-chlorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3,5-triazine-2-carboxylate
CID 59278681
(5R)-5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299690
N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 72943559
3-[(4-chlorophenyl)methyl]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 160616712
[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
CID 161238815
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one (CID 58375688) is 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one is COc1cc(Cc2nc3n(n2)C(c2ccc(Cl)cc2)CC(=O)C3)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The InChIKey is VXOSOAZLVRHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-15-13-29(14-26-15)20-8-3-16(9-22(20)32-2)10-23-27-24-12-19(31)11-21(30(24)28-23)17-4-6-18(25)7-5-17/h3-9,13-14,21H,10-12H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one has a molecular weight of 447.93 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 58375688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).