2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H25N3O2 — CID 97444031

IUPAC2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nc3c([nH]2)CN(C[C@@H]2CCCCO2)CC3)c1
InChIInChI=1S/C19H25N3O2/c1-23-15-7-4-5-14(11-15)19-20-17-8-9-22(13-18(17)21-19)12-16-6-2-3-10-24-16/h4-5,7,11,16H,2-3,6,8-10,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyIZMGTSPXIADPJE-INIZCTEOSA-N
MW327.43 g/mol
LogP3.01
Rot. Bonds4

About 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 97444031) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID97444031
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nc3c([nH]2)CN(C[C@@H]2CCCCO2)CC3)c1
InChIInChI=1S/C19H25N3O2/c1-23-15-7-4-5-14(11-15)19-20-17-8-9-22(13-18(17)21-19)12-16-6-2-3-10-24-16/h4-5,7,11,16H,2-3,6,8-10,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyIZMGTSPXIADPJE-INIZCTEOSA-N
XLogP3.01
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97455433
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
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72844258
N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72855610
[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 97115765
[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol
CID 91766717
(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 72864184
5-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 74244350
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 86789830

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 97444031) is 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1cccc(-c2nc3c([nH]2)CN(C[C@@H]2CCCCO2)CC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is IZMGTSPXIADPJE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-15-7-4-5-14(11-15)19-20-17-8-9-22(13-18(17)21-19)12-16-6-2-3-10-24-16/h4-5,7,11,16H,2-3,6,8-10,12-13H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 327.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 97444031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).