[1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone

C29H20ClN5O — CID 155550677

IUPAC[1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESO=C(c1cn(Cc2ccc(-c3ccc(Cl)cc3)cc2)nn1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C29H20ClN5O/c30-24-15-13-22(14-16-24)21-11-9-20(10-12-21)18-34-19-25(32-33-34)29(36)28-27(23-6-2-1-3-7-23)31-26-8-4-5-17-35(26)28/h1-17,19H,18H2
InChIKeyMYLMUPLLINSRIJ-UHFFFAOYSA-N
MW489.97 g/mol
LogP6.19
Rot. Bonds6

About [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone

[1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 155550677) has the molecular formula C29H20ClN5O and a molecular weight of 489.97 g/mol. Its IUPAC name is [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID155550677
Molecular FormulaC29H20ClN5O
Molecular Weight489.97 g/mol
Exact Mass489.14
IUPAC Name[1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESO=C(c1cn(Cc2ccc(-c3ccc(Cl)cc3)cc2)nn1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C29H20ClN5O/c30-24-15-13-22(14-16-24)21-11-9-20(10-12-21)18-34-19-25(32-33-34)29(36)28-27(23-6-2-1-3-7-23)31-26-8-4-5-17-35(26)28/h1-17,19H,18H2
InChIKeyMYLMUPLLINSRIJ-UHFFFAOYSA-N
XLogP6.19
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.97
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone (CID 155550677) is [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone is O=C(c1cn(Cc2ccc(-c3ccc(Cl)cc3)cc2)nn1)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is MYLMUPLLINSRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN5O/c30-24-15-13-22(14-16-24)21-11-9-20(10-12-21)18-34-19-25(32-33-34)29(36)28-27(23-6-2-1-3-7-23)31-26-8-4-5-17-35(26)28/h1-17,19H,18H2.
What are the key properties of [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone?
[1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 489.97 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(4-chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 155550677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).