1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H25N3OS — CID 131644800

IUPAC1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(Cc2cccs2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C18H25N3OS/c1-2-22-12-15-9-20(10-16-4-3-7-23-16)11-17-18(15)21(13-19-17)8-14-5-6-14/h3-4,7,13-15H,2,5-6,8-12H2,1H3
InChIKeyYPTWNLJWCAUIDW-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.49
Rot. Bonds7

About 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 131644800) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID131644800
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(Cc2cccs2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C18H25N3OS/c1-2-22-12-15-9-20(10-16-4-3-7-23-16)11-17-18(15)21(13-19-17)8-14-5-6-14/h3-4,7,13-15H,2,5-6,8-12H2,1H3
InChIKeyYPTWNLJWCAUIDW-UHFFFAOYSA-N
XLogP3.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

(7R)-1,5-bis(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382972
(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382954
4-[[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97368582
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
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131653605
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368523
(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382977
(4R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383081
7-(ethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 133141649
(7S)-1,5-bis(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382931
4-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155832795
(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382850

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 131644800) is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCC1CN(Cc2cccs2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is YPTWNLJWCAUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-2-22-12-15-9-20(10-16-4-3-7-23-16)11-17-18(15)21(13-19-17)8-14-5-6-14/h3-4,7,13-15H,2,5-6,8-12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 331.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 131644800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).