(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C15H21N3OS — CID 97368289

IUPAC(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@H]1CN(Cc2ccsc2)Cc2ncn(C)c21
InChIInChI=1S/C15H21N3OS/c1-3-19-9-13-7-18(6-12-4-5-20-10-12)8-14-15(13)17(2)11-16-14/h4-5,10-11,13H,3,6-9H2,1-2H3/t13-/m1/s1
InChIKeyXDNOEJRRSTXRGI-CYBMUJFWSA-N
MW291.42 g/mol
LogP2.62
Rot. Bonds5

About (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97368289) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97368289
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@H]1CN(Cc2ccsc2)Cc2ncn(C)c21
InChIInChI=1S/C15H21N3OS/c1-3-19-9-13-7-18(6-12-4-5-20-10-12)8-14-15(13)17(2)11-16-14/h4-5,10-11,13H,3,6-9H2,1-2H3/t13-/m1/s1
InChIKeyXDNOEJRRSTXRGI-CYBMUJFWSA-N
XLogP2.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(ethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131660540
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382483
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171686145
(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382850
7-(ethoxymethyl)-2-ethyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131640660
(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382848
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368938
4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 131659557
(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382865
N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658412
N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677316

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97368289) is (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOC[C@H]1CN(Cc2ccsc2)Cc2ncn(C)c21.
What is the InChIKey of (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is XDNOEJRRSTXRGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-19-9-13-7-18(6-12-4-5-20-10-12)8-14-15(13)17(2)11-16-14/h4-5,10-11,13H,3,6-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 291.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97368289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).