ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

C24H19N5O4S — CID 121030869

IUPACethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3c(C)nc4ccccn34)scc12
InChIInChI=1S/C24H19N5O4S/c1-3-33-24(32)19-16-13-34-22(18(16)23(31)29(27-19)15-9-5-4-6-10-15)26-21(30)20-14(2)25-17-11-7-8-12-28(17)20/h4-13H,3H2,1-2H3,(H,26,30)
InChIKeyHMRUKZMDTXWDBG-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.83
Rot. Bonds5

About ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate (PubChem CID 121030869) has the molecular formula C24H19N5O4S and a molecular weight of 473.51 g/mol. Its IUPAC name is ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
PubChem CID121030869
Molecular FormulaC24H19N5O4S
Molecular Weight473.51 g/mol
Exact Mass473.12
IUPAC Nameethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3c(C)nc4ccccn34)scc12
InChIInChI=1S/C24H19N5O4S/c1-3-33-24(32)19-16-13-34-22(18(16)23(31)29(27-19)15-9-5-4-6-10-15)26-21(30)20-14(2)25-17-11-7-8-12-28(17)20/h4-13H,3H2,1-2H3,(H,26,30)
InChIKeyHMRUKZMDTXWDBG-UHFFFAOYSA-N
XLogP3.83
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate with MolForge

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Related Compounds

ethyl 3-(2-fluorophenyl)-5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 121030983
ethyl 5-benzamido-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3639936
ethyl 5-(2-methylpropanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3616121
ethyl 4-oxo-3-phenyl-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate
CID 4137938
ethyl 5-[(2-chlorobenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3361738
ethyl 5-[(2-bromobenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3361829
ethyl 5-[(2,2-diphenylacetyl)amino]-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 44892953
ethyl 4-oxo-3-phenyl-5-(phenylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylate
CID 4569634
ethyl 4-oxo-3-phenyl-5-[(2-phenylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 4076412
ethyl 5-[(5-chlorothiophene-2-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 121030877
ethyl 4-oxo-3-phenyl-5-(quinoxaline-2-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate
CID 121030870
ethyl 5-[(3,5-dimethoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3648273

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
The IUPAC name of ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate (CID 121030869) is ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3c(C)nc4ccccn34)scc12.
What is the InChIKey of ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
The InChIKey is HMRUKZMDTXWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S/c1-3-33-24(32)19-16-13-34-22(18(16)23(31)29(27-19)15-9-5-4-6-10-15)26-21(30)20-14(2)25-17-11-7-8-12-28(17)20/h4-13H,3H2,1-2H3,(H,26,30).
What are the key properties of ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate has a molecular weight of 473.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate is sourced from PubChem (CID 121030869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).