furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C19H25N3O4 — CID 118741167

IUPACfuran-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C19H25N3O4/c1-21-13-20-17-9-22(19(23)15-4-7-25-11-15)8-16(18(17)21)12-26-10-14-2-5-24-6-3-14/h4,7,11,13-14,16H,2-3,5-6,8-10,12H2,1H3
InChIKeyVVWZCZBUBWYOCK-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.20
Rot. Bonds5

About furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 118741167) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID118741167
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namefuran-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C19H25N3O4/c1-21-13-20-17-9-22(19(23)15-4-7-25-11-15)8-16(18(17)21)12-26-10-14-2-5-24-6-3-14/h4,7,11,13-14,16H,2-3,5-6,8-10,12H2,1H3
InChIKeyVVWZCZBUBWYOCK-UHFFFAOYSA-N
XLogP2.20
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 118741167) is furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is Cn1cnc2c1C(COCC1CCOCC1)CN(C(=O)c1ccoc1)C2.
What is the InChIKey of furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is VVWZCZBUBWYOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-21-13-20-17-9-22(19(23)15-4-7-25-11-15)8-16(18(17)21)12-26-10-14-2-5-24-6-3-14/h4,7,11,13-14,16H,2-3,5-6,8-10,12H2,1H3.
What are the key properties of furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 118741167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).