imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate

C23H15N3O4 — CID 55372410

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
SMILESNc1c(C(=O)OCc2cn3ccccc3n2)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H15N3O4/c24-20-17(23(29)30-12-13-11-26-10-4-3-7-18(26)25-13)9-8-16-19(20)22(28)15-6-2-1-5-14(15)21(16)27/h1-11H,12,24H2
InChIKeyJHTMUQFAQCRQSI-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.05
Rot. Bonds3

About imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate

imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate (PubChem CID 55372410) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
PubChem CID55372410
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
SMILESNc1c(C(=O)OCc2cn3ccccc3n2)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H15N3O4/c24-20-17(23(29)30-12-13-11-26-10-4-3-7-18(26)25-13)9-8-16-19(20)22(28)15-6-2-1-5-14(15)21(16)27/h1-11H,12,24H2
InChIKeyJHTMUQFAQCRQSI-UHFFFAOYSA-N
XLogP3.05
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate 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

imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
imidazo[1,2-a]pyridin-2-ylmethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75500455
imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
CID 7625039
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 16611211
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
[2-oxo-2-(propan-2-ylamino)ethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 7754493
imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7173026
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 7754492
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate
CID 55478912

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate (CID 55372410) is imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate is Nc1c(C(=O)OCc2cn3ccccc3n2)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate?
The InChIKey is JHTMUQFAQCRQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c24-20-17(23(29)30-12-13-11-26-10-4-3-7-18(26)25-13)9-8-16-19(20)22(28)15-6-2-1-5-14(15)21(16)27/h1-11H,12,24H2.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate?
imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate is sourced from PubChem (CID 55372410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).