4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde

C33H25N3O — CID 90847236

IUPAC4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde
SMILESCc1nc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1ccc(C=O)cc1
InChIInChI=1S/C33H25N3O/c1-24-30(26-19-17-25(22-37)18-20-26)21-31-32(35-24)34-23-36(31)33(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-23H,1H3
InChIKeyNGXMXKQRDSDFTO-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.06
Rot. Bonds6

About 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde

4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde (PubChem CID 90847236) has the molecular formula C33H25N3O and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde
PubChem CID90847236
Molecular FormulaC33H25N3O
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC Name4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde
SMILESCc1nc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1ccc(C=O)cc1
InChIInChI=1S/C33H25N3O/c1-24-30(26-19-17-25(22-37)18-20-26)21-31-32(35-24)34-23-36(31)33(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-23H,1H3
InChIKeyNGXMXKQRDSDFTO-UHFFFAOYSA-N
XLogP7.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde?
The IUPAC name of 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde (CID 90847236) is 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde.
What is the SMILES notation for 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde?
The canonical SMILES for 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde is Cc1nc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde?
The InChIKey is NGXMXKQRDSDFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O/c1-24-30(26-19-17-25(22-37)18-20-26)21-31-32(35-24)34-23-36(31)33(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-23H,1H3.
What are the key properties of 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde?
4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde has a molecular weight of 479.58 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-tritylimidazo[4,5-b]pyridin-6-yl)benzaldehyde is sourced from PubChem (CID 90847236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).