1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid

C18H25N5O7 — CID 3070167

IUPAC1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
SMILESO=C(O)C(=O)O.O=c1n(CN2CCOCC2)c2cccnc2n1CN1CCOCC1
InChIInChI=1S/C16H23N5O3.C2H2O4/c22-16-20(12-18-4-8-23-9-5-18)14-2-1-3-17-15(14)21(16)13-19-6-10-24-11-7-19;3-1(4)2(5)6/h1-3H,4-13H2;(H,3,4)(H,5,6)
InChIKeyZWVUMTLLZCETQV-UHFFFAOYSA-N
MW423.43 g/mol
LogP-1.07
Rot. Bonds4

About 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid

1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid (PubChem CID 3070167) has the molecular formula C18H25N5O7 and a molecular weight of 423.43 g/mol. Its IUPAC name is 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid.

Molecular Properties

Compound Name1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
PubChem CID3070167
Molecular FormulaC18H25N5O7
Molecular Weight423.43 g/mol
Exact Mass423.18
IUPAC Name1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
SMILESO=C(O)C(=O)O.O=c1n(CN2CCOCC2)c2cccnc2n1CN1CCOCC1
InChIInChI=1S/C16H23N5O3.C2H2O4/c22-16-20(12-18-4-8-23-9-5-18)14-2-1-3-17-15(14)21(16)13-19-6-10-24-11-7-19;3-1(4)2(5)6/h1-3H,4-13H2;(H,3,4)(H,5,6)
InChIKeyZWVUMTLLZCETQV-UHFFFAOYSA-N
XLogP-1.07
TPSA139.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The IUPAC name of 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid (CID 3070167) is 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid.
What is the SMILES notation for 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The canonical SMILES for 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid is O=C(O)C(=O)O.O=c1n(CN2CCOCC2)c2cccnc2n1CN1CCOCC1.
What is the InChIKey of 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The InChIKey is ZWVUMTLLZCETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3.C2H2O4/c22-16-20(12-18-4-8-23-9-5-18)14-2-1-3-17-15(14)21(16)13-19-6-10-24-11-7-19;3-1(4)2(5)6/h1-3H,4-13H2;(H,3,4)(H,5,6).
What are the key properties of 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid has a molecular weight of 423.43 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid is sourced from PubChem (CID 3070167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).