2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
Basic information
- CAS
85930-00-3- Standard SMILES
O=C(O)C(=O)O.O=c1n(CN2CCOCC2)c2cccnc2n1CN1CCOCC1- InChIKey
ZWVUMTLLZCETQV-UHFFFAOYSA-N- Molecular formula
- C18H25N5O7
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.17539815
Names & identifiers
- Preferred name
- 2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
- IUPAC
- 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
Names & synonyms
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)85930-00-31,3-Dihydro-1,3-bis(4-morpholinylmethyl)-2H-imidazo(4,5-b)pyridin-2-one ethanedioate (1:1)1,3-Bis(morpholinomethyl)-2-oxoimidazo(4,5-b)pyridine oxalateDTXSID60235250RefChem:268626DTXCID60157741Oxalic acid--1,3-bis[(morpholin-4-yl)methyl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one (1/1)
Database identifiers
- CAS
85930-00-3- PubChem CID
- 3070167
- DTXSID
DTXSID60235250
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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