1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone

C19H28N4O3 — CID 138025112

IUPAC1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
SMILESO=C(CN1CCc2[nH]cnc2C12CCOCC2)N1CCOCC1C1CC1
InChIInChI=1S/C19H28N4O3/c24-17(23-7-10-26-12-16(23)14-1-2-14)11-22-6-3-15-18(21-13-20-15)19(22)4-8-25-9-5-19/h13-14,16H,1-12H2,(H,20,21)
InChIKeyRSWQZNJIPOORGS-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.91
Rot. Bonds3

About 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone

1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone (PubChem CID 138025112) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone.

Molecular Properties

Compound Name1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
PubChem CID138025112
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
SMILESO=C(CN1CCc2[nH]cnc2C12CCOCC2)N1CCOCC1C1CC1
InChIInChI=1S/C19H28N4O3/c24-17(23-7-10-26-12-16(23)14-1-2-14)11-22-6-3-15-18(21-13-20-15)19(22)4-8-25-9-5-19/h13-14,16H,1-12H2,(H,20,21)
InChIKeyRSWQZNJIPOORGS-UHFFFAOYSA-N
XLogP0.91
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The IUPAC name of 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone (CID 138025112) is 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone.
What is the SMILES notation for 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The canonical SMILES for 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone is O=C(CN1CCc2[nH]cnc2C12CCOCC2)N1CCOCC1C1CC1.
What is the InChIKey of 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The InChIKey is RSWQZNJIPOORGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-17(23-7-10-26-12-16(23)14-1-2-14)11-22-6-3-15-18(21-13-20-15)19(22)4-8-25-9-5-19/h13-14,16H,1-12H2,(H,20,21).
What are the key properties of 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone has a molecular weight of 360.46 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone is sourced from PubChem (CID 138025112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).