2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol

C20H22N4O3 — CID 91774519

IUPAC2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESCOc1ccc(-c2nc3c([nH]2)CN(Cc2ccc(OC)c(O)c2)CC3)cn1
InChIInChI=1S/C20H22N4O3/c1-26-18-5-3-13(9-17(18)25)11-24-8-7-15-16(12-24)23-20(22-15)14-4-6-19(27-2)21-10-14/h3-6,9-10,25H,7-8,11-12H2,1-2H3,(H,22,23)
InChIKeySZCNQUTWDJHZFX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.75
Rot. Bonds5

About 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol

2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol (PubChem CID 91774519) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
PubChem CID91774519
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESCOc1ccc(-c2nc3c([nH]2)CN(Cc2ccc(OC)c(O)c2)CC3)cn1
InChIInChI=1S/C20H22N4O3/c1-26-18-5-3-13(9-17(18)25)11-24-8-7-15-16(12-24)23-20(22-15)14-4-6-19(27-2)21-10-14/h3-6,9-10,25H,7-8,11-12H2,1-2H3,(H,22,23)
InChIKeySZCNQUTWDJHZFX-UHFFFAOYSA-N
XLogP2.75
TPSA83.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 91769357
6-[(3-hydroxy-4-methoxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919068
6-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919069
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 91760548
2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930173
5-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 74244350
6-[(6-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944171
6-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918331
7-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865051
5-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-methylpyridin-2-one
CID 91772254
N-cyclohexyl-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 91776186
1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 91778642

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol (CID 91774519) is 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol is COc1ccc(-c2nc3c([nH]2)CN(Cc2ccc(OC)c(O)c2)CC3)cn1.
What is the InChIKey of 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The InChIKey is SZCNQUTWDJHZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-5-3-13(9-17(18)25)11-24-8-7-15-16(12-24)23-20(22-15)14-4-6-19(27-2)21-10-14/h3-6,9-10,25H,7-8,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol has a molecular weight of 366.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol is sourced from PubChem (CID 91774519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).