cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C17H19N3O2 — CID 165419154

IUPACcyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1CCC1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C17H19N3O2/c21-13-6-2-5-12(7-13)14-8-20(17(22)11-3-1-4-11)9-15-16(14)19-10-18-15/h2,5-7,10-11,14,21H,1,3-4,8-9H2,(H,18,19)
InChIKeyMXFWFMZESVBOIG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds2

About cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165419154) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165419154
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namecyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1CCC1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C17H19N3O2/c21-13-6-2-5-12(7-13)14-8-20(17(22)11-3-1-4-11)9-15-16(14)19-10-18-15/h2,5-7,10-11,14,21H,1,3-4,8-9H2,(H,18,19)
InChIKeyMXFWFMZESVBOIG-UHFFFAOYSA-N
XLogP2.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone
CID 164696373
(3-chloro-4-pyridinyl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164697931
1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone
CID 165419639
[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164696159
2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide
CID 165421163
(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165419028
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
CID 165419465
3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165422483
(7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165422322
formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one
CID 172896427
3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol
CID 165418197
2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 165422608

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165419154) is cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(C1CCC1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.
What is the InChIKey of cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is MXFWFMZESVBOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-13-6-2-5-12(7-13)14-8-20(17(22)11-3-1-4-11)9-15-16(14)19-10-18-15/h2,5-7,10-11,14,21H,1,3-4,8-9H2,(H,18,19).
What are the key properties of cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165419154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).