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

C23H19N5O — CID 118937088

IUPAC3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2ncn(C(c3ccccc3)c3ccccn3)c2c1
InChIInChI=1S/C23H19N5O/c1-15-21(16(2)29-27-15)18-12-20-23(25-13-18)26-14-28(20)22(17-8-4-3-5-9-17)19-10-6-7-11-24-19/h3-14,22H,1-2H3
InChIKeyULOSEBWMTIPQLK-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.74
Rot. Bonds4

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

3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 118937088) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
PubChem CID118937088
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2ncn(C(c3ccccc3)c3ccccn3)c2c1
InChIInChI=1S/C23H19N5O/c1-15-21(16(2)29-27-15)18-12-20-23(25-13-18)26-14-28(20)22(17-8-4-3-5-9-17)19-10-6-7-11-24-19/h3-14,22H,1-2H3
InChIKeyULOSEBWMTIPQLK-UHFFFAOYSA-N
XLogP4.74
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole (CID 118937088) is 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2ncn(C(c3ccccc3)c3ccccn3)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The InChIKey is ULOSEBWMTIPQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-21(16(2)29-27-15)18-12-20-23(25-13-18)26-14-28(20)22(17-8-4-3-5-9-17)19-10-6-7-11-24-19/h3-14,22H,1-2H3.
What are the key properties of 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 381.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 118937088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).