ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride

C20H26Cl2N4O2 — CID 67163391

IUPACethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride
SMILESCCOC(=O)C12CN(C)CC1CN(c1ccc(-c3ccccc3)nn1)C2.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-3-26-19(25)20-13-23(2)11-16(20)12-24(14-20)18-10-9-17(21-22-18)15-7-5-4-6-8-15;;/h4-10,16H,3,11-14H2,1-2H3;2*1H
InChIKeyRPSRGSAFEWRQNV-UHFFFAOYSA-N
MW425.36 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride

ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride (PubChem CID 67163391) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride
PubChem CID67163391
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Nameethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride
SMILESCCOC(=O)C12CN(C)CC1CN(c1ccc(-c3ccccc3)nn1)C2.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-3-26-19(25)20-13-23(2)11-16(20)12-24(14-20)18-10-9-17(21-22-18)15-7-5-4-6-8-15;;/h4-10,16H,3,11-14H2,1-2H3;2*1H
InChIKeyRPSRGSAFEWRQNV-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride 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

[(3aS,6aS)-3a-(hydroxymethyl)-2-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 166613353
ethyl 2-methyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108772879
1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
CID 11428677
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
(3aS,6aR)-2-ethyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-methylbenzenesulfonic acid
CID 44592634
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131935603
2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 146043716
(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
ethyl (3aR,8aS)-5-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylate
CID 124815080
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride?
The IUPAC name of ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride (CID 67163391) is ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride is CCOC(=O)C12CN(C)CC1CN(c1ccc(-c3ccccc3)nn1)C2.Cl.Cl.
What is the InChIKey of ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride?
The InChIKey is RPSRGSAFEWRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c1-3-26-19(25)20-13-23(2)11-16(20)12-24(14-20)18-10-9-17(21-22-18)15-7-5-4-6-8-15;;/h4-10,16H,3,11-14H2,1-2H3;2*1H.
What are the key properties of ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride?
ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(6-phenylpyridazin-3-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate;dihydrochloride is sourced from PubChem (CID 67163391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).