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

C15H18N4O7 — CID 3070173

IUPAC3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
SMILESCC(=O)n1c(=O)n(CN2CCOCC2)c2cccnc21.O=C(O)C(=O)O
InChIInChI=1S/C13H16N4O3.C2H2O4/c1-10(18)17-12-11(3-2-4-14-12)16(13(17)19)9-15-5-7-20-8-6-15;3-1(4)2(5)6/h2-4H,5-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyLEILJUUGGJIXMM-UHFFFAOYSA-N
MW366.33 g/mol
LogP-0.70
Rot. Bonds2

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

3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid (PubChem CID 3070173) has the molecular formula C15H18N4O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid.

Molecular Properties

Compound Name3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
PubChem CID3070173
Molecular FormulaC15H18N4O7
Molecular Weight366.33 g/mol
Exact Mass366.12
IUPAC Name3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
SMILESCC(=O)n1c(=O)n(CN2CCOCC2)c2cccnc21.O=C(O)C(=O)O
InChIInChI=1S/C13H16N4O3.C2H2O4/c1-10(18)17-12-11(3-2-4-14-12)16(13(17)19)9-15-5-7-20-8-6-15;3-1(4)2(5)6/h2-4H,5-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyLEILJUUGGJIXMM-UHFFFAOYSA-N
XLogP-0.70
TPSA143.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Imidazo[1,2-a]pyridin-2-ylmethyl-piperazine-1-carboxylic acid ethyl ester
CID 651683
[1-(5-Isocyano-2-pyridinyl)pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 122198060
Propanamide, N-(1-methyl-2-(4-morpholinyl)ethyl)-N-2-pyridinyl-
CID 3041498
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
CID 3070167
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(1-piperidinylmethyl)-, ethanedioate (1:1)
CID 3070169
Pyrido(3,4-b)pyrazin-2(1H)-one, 1-(2-morpholinoethyl)-3-methyl-
CID 3070228
4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-2-methyl-5-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3087183
2-[2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl]-N-(2-methoxyethyl)acetamide
CID 20955233
2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide
CID 97402895
2-[(4aR,7aR)-3-oxo-6-pyridin-2-yl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide
CID 97508833
2-Methoxy-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 892614
3-[1-(2-Methoxyethyl)-2-oxo-1H,2H,3H-imidazo[4,5-B]pyridin-3-YL]-N-propylpiperidine-1-carboxamide
CID 91909929

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The IUPAC name of 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid (CID 3070173) is 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid.
What is the SMILES notation for 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The canonical SMILES for 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid is CC(=O)n1c(=O)n(CN2CCOCC2)c2cccnc21.O=C(O)C(=O)O.
What is the InChIKey of 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The InChIKey is LEILJUUGGJIXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3.C2H2O4/c1-10(18)17-12-11(3-2-4-14-12)16(13(17)19)9-15-5-7-20-8-6-15;3-1(4)2(5)6/h2-4H,5-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid has a molecular weight of 366.33 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid is sourced from PubChem (CID 3070173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).