3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole

C24H20N4O — CID 134805818

IUPAC3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(-c2cccnc2)n1
InChIInChI=1S/C24H20N4O/c1-15-23(16(2)29-27-15)20-13-22-19(24(26-20)18-10-7-11-25-14-18)12-21(28(22)3)17-8-5-4-6-9-17/h4-14H,1-3H3
InChIKeyCBKHTSHEHOQTOQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.57
Rot. Bonds3

About 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole

3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole (PubChem CID 134805818) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
PubChem CID134805818
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(-c2cccnc2)n1
InChIInChI=1S/C24H20N4O/c1-15-23(16(2)29-27-15)20-13-22-19(24(26-20)18-10-7-11-25-14-18)12-21(28(22)3)17-8-5-4-6-9-17/h4-14H,1-3H3
InChIKeyCBKHTSHEHOQTOQ-UHFFFAOYSA-N
XLogP5.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole (CID 134805818) is 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole is Cc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(-c2cccnc2)n1.
What is the InChIKey of 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
The InChIKey is CBKHTSHEHOQTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-23(16(2)29-27-15)20-13-22-19(24(26-20)18-10-7-11-25-14-18)12-21(28(22)3)17-8-5-4-6-9-17/h4-14H,1-3H3.
What are the key properties of 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole has a molecular weight of 380.45 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1-methyl-2-phenyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole is sourced from PubChem (CID 134805818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).