2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole

C26H25N5O4 — CID 163686723

IUPAC2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(OC)cc(-c3cnc4cc(OCc5ccc(C)nc5)ccn34)cc2OC)o1
InChIInChI=1S/C26H25N5O4/c1-5-24-29-30-26(35-24)25-21(32-3)10-18(11-22(25)33-4)20-14-28-23-12-19(8-9-31(20)23)34-15-17-7-6-16(2)27-13-17/h6-14H,5,15H2,1-4H3
InChIKeyJPMOTSGSTDSLFB-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.91
Rot. Bonds8

About 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole

2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 163686723) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID163686723
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(OC)cc(-c3cnc4cc(OCc5ccc(C)nc5)ccn34)cc2OC)o1
InChIInChI=1S/C26H25N5O4/c1-5-24-29-30-26(35-24)25-21(32-3)10-18(11-22(25)33-4)20-14-28-23-12-19(8-9-31(20)23)34-15-17-7-6-16(2)27-13-17/h6-14H,5,15H2,1-4H3
InChIKeyJPMOTSGSTDSLFB-UHFFFAOYSA-N
XLogP4.91
TPSA96.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole (CID 163686723) is 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(OC)cc(-c3cnc4cc(OCc5ccc(C)nc5)ccn34)cc2OC)o1.
What is the InChIKey of 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is JPMOTSGSTDSLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-5-24-29-30-26(35-24)25-21(32-3)10-18(11-22(25)33-4)20-14-28-23-12-19(8-9-31(20)23)34-15-17-7-6-16(2)27-13-17/h6-14H,5,15H2,1-4H3.
What are the key properties of 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 471.52 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethoxy-4-[7-[(6-methyl-3-pyridinyl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 163686723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).