2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(1-piperidinylmethyl)-, ethanedioate (1:1)
Basic information
- CAS
85930-02-5- Standard SMILES
O=C(O)C(=O)O.O=c1n(CN2CCCCC2)c2cccnc2n1CN1CCCCC1- InChIKey
FCCLYBXJIOXPII-UHFFFAOYSA-N- Molecular formula
- C20H29N5O5
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.21686904
Names & identifiers
- Preferred name
- 2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(1-piperidinylmethyl)-, ethanedioate (1:1)
- IUPAC
- 1,3-bis(piperidin-1-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(1-piperidinylmethyl)-, ethanedioate (1:1)1,3-Dihydro-1,3-bis(1-piperidinylmethyl)-2H-imidazo(4,5-b)pyridin-2-one ethanedioate (1:1)85930-02-51,3-Bis(piperidinomethyl)-2-oxoimidazo(4,5-b)pyridine oxalateDTXSID20235251RefChem:268625DTXCID20157742Oxalic acid--1,3-bis[(piperidin-1-yl)methyl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one (1/1)
Database identifiers
- CAS
85930-02-5- PubChem CID
- 3070169
- DTXSID
DTXSID20235251
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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