[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol

C21H22FN3O2 — CID 91766717

IUPAC[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol
SMILESCOc1ccc(CN2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)c(F)c1
InChIInChI=1S/C21H22FN3O2/c1-27-17-6-5-16(18(22)10-17)11-25-8-7-19-20(12-25)24-21(23-19)15-4-2-3-14(9-15)13-26/h2-6,9-10,26H,7-8,11-13H2,1H3,(H,23,24)
InChIKeyUQZFFLGDMTZQCJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.28
Rot. Bonds5

About [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol

[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol (PubChem CID 91766717) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol
PubChem CID91766717
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol
SMILESCOc1ccc(CN2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)c(F)c1
InChIInChI=1S/C21H22FN3O2/c1-27-17-6-5-16(18(22)10-17)11-25-8-7-19-20(12-25)24-21(23-19)15-4-2-3-14(9-15)13-26/h2-6,9-10,26H,7-8,11-13H2,1H3,(H,23,24)
InChIKeyUQZFFLGDMTZQCJ-UHFFFAOYSA-N
XLogP3.28
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 74244350
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917815
2-[[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 72909849
2-(4-chlorophenyl)-7-[(2-fluoro-4-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864521
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917818
[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol
CID 91777581
5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72922947
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864567
2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917816
(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 72864184
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol (CID 91766717) is [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol is COc1ccc(CN2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)c(F)c1.
What is the InChIKey of [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
The InChIKey is UQZFFLGDMTZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-27-17-6-5-16(18(22)10-17)11-25-8-7-19-20(12-25)24-21(23-19)15-4-2-3-14(9-15)13-26/h2-6,9-10,26H,7-8,11-13H2,1H3,(H,23,24).
What are the key properties of [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol has a molecular weight of 367.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 91766717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).