ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate

C24H25ClN6O5 — CID 163220181

IUPACethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)c(N(C(=O)Cl)c3cc4c(cn3)n(C)c(=O)n4C3CCOCC3)cn12
InChIInChI=1S/C24H25ClN6O5/c1-4-36-22(32)18-12-26-20-9-14(2)19(13-29(18)20)31(23(25)33)21-10-16-17(11-27-21)28(3)24(34)30(16)15-5-7-35-8-6-15/h9-13,15H,4-8H2,1-3H3
InChIKeyJJYKSSSPJHXENR-UHFFFAOYSA-N
MW512.95 g/mol
LogP3.72
Rot. Bonds5

About ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 163220181) has the molecular formula C24H25ClN6O5 and a molecular weight of 512.95 g/mol. Its IUPAC name is ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID163220181
Molecular FormulaC24H25ClN6O5
Molecular Weight512.95 g/mol
Exact Mass512.16
IUPAC Nameethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)c(N(C(=O)Cl)c3cc4c(cn3)n(C)c(=O)n4C3CCOCC3)cn12
InChIInChI=1S/C24H25ClN6O5/c1-4-36-22(32)18-12-26-20-9-14(2)19(13-29(18)20)31(23(25)33)21-10-16-17(11-27-21)28(3)24(34)30(16)15-5-7-35-8-6-15/h9-13,15H,4-8H2,1-3H3
InChIKeyJJYKSSSPJHXENR-UHFFFAOYSA-N
XLogP3.72
TPSA112.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.95
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 163220181) is ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(C)c(N(C(=O)Cl)c3cc4c(cn3)n(C)c(=O)n4C3CCOCC3)cn12.
What is the InChIKey of ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JJYKSSSPJHXENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O5/c1-4-36-22(32)18-12-26-20-9-14(2)19(13-29(18)20)31(23(25)33)21-10-16-17(11-27-21)28(3)24(34)30(16)15-5-7-35-8-6-15/h9-13,15H,4-8H2,1-3H3.
What are the key properties of ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 512.95 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[carbonochloridoyl-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-6-yl]amino]-7-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 163220181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).