3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole

C14H11N7O — CID 164861743

IUPAC3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole
SMILESCc1nonc1-c1nc2cccnc2n1Cc1cncnc1
InChIInChI=1S/C14H11N7O/c1-9-12(20-22-19-9)14-18-11-3-2-4-17-13(11)21(14)7-10-5-15-8-16-6-10/h2-6,8H,7H2,1H3
InChIKeySNDFIFGLKPGGJL-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.63
Rot. Bonds3

About 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole

3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole (PubChem CID 164861743) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole
PubChem CID164861743
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole
SMILESCc1nonc1-c1nc2cccnc2n1Cc1cncnc1
InChIInChI=1S/C14H11N7O/c1-9-12(20-22-19-9)14-18-11-3-2-4-17-13(11)21(14)7-10-5-15-8-16-6-10/h2-6,8H,7H2,1H3
InChIKeySNDFIFGLKPGGJL-UHFFFAOYSA-N
XLogP1.63
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole with MolForge

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Related Compounds

4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861740
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
3-benzyl-2-(5-fluoro-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 167793948
3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861514
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole (CID 164861743) is 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole is Cc1nonc1-c1nc2cccnc2n1Cc1cncnc1.
What is the InChIKey of 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole?
The InChIKey is SNDFIFGLKPGGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c1-9-12(20-22-19-9)14-18-11-3-2-4-17-13(11)21(14)7-10-5-15-8-16-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole?
3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole has a molecular weight of 293.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 164861743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).