ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate

C17H17N3O4 — CID 23049022

IUPACethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(C2=CC(C)(C)Oc3ccncc32)n1
InChIInChI=1S/C17H17N3O4/c1-4-23-16(22)12-5-6-15(21)20(19-12)13-9-17(2,3)24-14-7-8-18-10-11(13)14/h5-10H,4H2,1-3H3
InChIKeySJHHSMOTCFCBOU-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate

ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate (PubChem CID 23049022) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate
PubChem CID23049022
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(C2=CC(C)(C)Oc3ccncc32)n1
InChIInChI=1S/C17H17N3O4/c1-4-23-16(22)12-5-6-15(21)20(19-12)13-9-17(2,3)24-14-7-8-18-10-11(13)14/h5-10H,4H2,1-3H3
InChIKeySJHHSMOTCFCBOU-UHFFFAOYSA-N
XLogP1.88
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-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 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate (CID 23049022) is ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate is CCOC(=O)c1ccc(=O)n(C2=CC(C)(C)Oc3ccncc32)n1.
What is the InChIKey of ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate?
The InChIKey is SJHHSMOTCFCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-4-23-16(22)12-5-6-15(21)20(19-12)13-9-17(2,3)24-14-7-8-18-10-11(13)14/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate?
ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 23049022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).