[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone

C15H19N3O3 — CID 118740887

IUPAC[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCCOCC1c2c(ncn2C)CCN1C(=O)c1ccoc1
InChIInChI=1S/C15H19N3O3/c1-3-20-9-13-14-12(16-10-17(14)2)4-6-18(13)15(19)11-5-7-21-8-11/h5,7-8,10,13H,3-4,6,9H2,1-2H3
InChIKeyZOXNFVGJUXJEBA-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.79
Rot. Bonds4

About [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone

[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (PubChem CID 118740887) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
PubChem CID118740887
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCCOCC1c2c(ncn2C)CCN1C(=O)c1ccoc1
InChIInChI=1S/C15H19N3O3/c1-3-20-9-13-14-12(16-10-17(14)2)4-6-18(13)15(19)11-5-7-21-8-11/h5,7-8,10,13H,3-4,6,9H2,1-2H3
InChIKeyZOXNFVGJUXJEBA-UHFFFAOYSA-N
XLogP1.79
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-furyl(3-methyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836377
[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(furan-3-yl)methanone
CID 97381679
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97405977
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 97405982
furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97406822
[1-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97520218
furan-3-yl-[8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 118739001
5-(furan-3-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739313
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739773
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118740883
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118741081
furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118741167

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (CID 118740887) is [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is CCOCC1c2c(ncn2C)CCN1C(=O)c1ccoc1.
What is the InChIKey of [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The InChIKey is ZOXNFVGJUXJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-20-9-13-14-12(16-10-17(14)2)4-6-18(13)15(19)11-5-7-21-8-11/h5,7-8,10,13H,3-4,6,9H2,1-2H3.
What are the key properties of [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 118740887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).