2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H21N3O2 — CID 97455433

IUPAC2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nc3c([nH]2)CN([C@@H]2CCOC2)CC3)c1
InChIInChI=1S/C17H21N3O2/c1-21-14-4-2-3-12(9-14)17-18-15-5-7-20(10-16(15)19-17)13-6-8-22-11-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyMUMRMVOUVRUCIR-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.23
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 97455433) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID97455433
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nc3c([nH]2)CN([C@@H]2CCOC2)CC3)c1
InChIInChI=1S/C17H21N3O2/c1-21-14-4-2-3-12(9-14)17-18-15-5-7-20(10-16(15)19-17)13-6-8-22-11-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyMUMRMVOUVRUCIR-CYBMUJFWSA-N
XLogP2.23
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031
5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72922947
2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
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-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol
CID 91777581
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72844258
(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 72864184
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
CID 74246241
N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72855610

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 97455433) is 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1cccc(-c2nc3c([nH]2)CN([C@@H]2CCOC2)CC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MUMRMVOUVRUCIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-14-4-2-3-12(9-14)17-18-15-5-7-20(10-16(15)19-17)13-6-8-22-11-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 299.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 97455433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).