(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H20FN3O2 — CID 165427708

IUPAC(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cc(C)cc(F)c3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C21H20FN3O2/c1-13-7-15(9-16(22)8-13)21(26)25-10-18(20-19(11-25)23-12-24-20)14-3-5-17(27-2)6-4-14/h3-9,12,18H,10-11H2,1-2H3,(H,23,24)
InChIKeyJUCSTDPTKUWQOZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.65
Rot. Bonds3

About (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165427708) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165427708
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cc(C)cc(F)c3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C21H20FN3O2/c1-13-7-15(9-16(22)8-13)21(26)25-10-18(20-19(11-25)23-12-24-20)14-3-5-17(27-2)6-4-14/h3-9,12,18H,10-11H2,1-2H3,(H,23,24)
InChIKeyJUCSTDPTKUWQOZ-UHFFFAOYSA-N
XLogP3.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 164700123
methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate
CID 164695539
(3-hydroxy-2-pyridinyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427122
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653
1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165418997
1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 164695789
[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 164688020
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165418782
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164694949

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165427708) is (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc(C2CN(C(=O)c3cc(C)cc(F)c3)Cc3[nH]cnc32)cc1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is JUCSTDPTKUWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-7-15(9-16(22)8-13)21(26)25-10-18(20-19(11-25)23-12-24-20)14-3-5-17(27-2)6-4-14/h3-9,12,18H,10-11H2,1-2H3,(H,23,24).
What are the key properties of (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165427708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).