7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one

C18H17N3O4 — CID 171906876

IUPAC7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C18H17N3O4/c1-11(18(23)21-7-6-14-15(9-21)20-10-19-14)24-13-4-2-12-3-5-17(22)25-16(12)8-13/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20)
InChIKeyUUQVQMSSXQWASK-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.87
Rot. Bonds3

About 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one

7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one (PubChem CID 171906876) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one.

Molecular Properties

Compound Name7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one
PubChem CID171906876
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C18H17N3O4/c1-11(18(23)21-7-6-14-15(9-21)20-10-19-14)24-13-4-2-12-3-5-17(22)25-16(12)8-13/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20)
InChIKeyUUQVQMSSXQWASK-UHFFFAOYSA-N
XLogP1.87
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736
7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 171389391
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
7-[1-oxo-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171907324
7-[1-oxo-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxychromen-2-one
CID 171388634
7-[1-oxo-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171911417
N-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145266
(2R)-2-(4-methylphenyl)sulfanyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 97189345
4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
CID 97208178
(5-methyl-1,3,4-oxadiazol-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166195
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776
3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid
CID 22556950

Frequently Asked Questions

What is the IUPAC name of 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one?
The IUPAC name of 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one (CID 171906876) is 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one.
What is the SMILES notation for 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one?
The canonical SMILES for 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one is CC(Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one?
The InChIKey is UUQVQMSSXQWASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(18(23)21-7-6-14-15(9-21)20-10-19-14)24-13-4-2-12-3-5-17(22)25-16(12)8-13/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one?
7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one has a molecular weight of 339.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one is sourced from PubChem (CID 171906876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).