ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride

C50H70Cl2N16O4 — CID 161305142

About ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride

ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride (PubChem CID 161305142) has the molecular formula C50H70Cl2N16O4 and a molecular weight of 1030.12 g/mol. Its IUPAC name is ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride.

Molecular Properties

• Compound Name: ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride
• PubChem CID: 161305142
• Molecular Formula: C50H70Cl2N16O4
• Molecular Weight: 1030.12 g/mol
• Exact Mass: 1028.51
• IUPAC Name: ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride
• SMILES: CC(C)N1CCN(c2cnc(-c3cc4c(N5CCNCC5)ccnn4c3)cn2)CC1.CCOC(=O)Cl.CCOC(=O)N1CCN(c2ccnn3cc(-c4cnc(N5CCN(C(C)C)CC5)cn4)cc23)CC1.Cl
• InChI: InChI=1S/C25H34N8O2.C22H30N8.C3H5ClO2.ClH/c1-4-35-25(34)32-13-9-30(10-14-32)22-5-6-28-33-18-20(15-23(22)33)21-16-27-24(17-26-21)31-11-7-29(8-12-31)19(2)3;1-17(2)27-9-11-29(12-10-27)22-15-24-19(14-25-22)18-13-21-20(3-4-26-30(21)16-18)28-7-5-23-6-8-28;1-2-6-3(4)5;/h5-6,15-19H,4,7-14H2,1-3H3;3-4,13-17,23H,5-12H2,1-2H3;2H2,1H3;1H
• InChIKey: JHIKTLADYIWYCF-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 173.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1030.12
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride?

The IUPAC name of ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride (CID 161305142) is ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride.

What is the SMILES notation for ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride?

The canonical SMILES for ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride is CC(C)N1CCN(c2cnc(-c3cc4c(N5CCNCC5)ccnn4c3)cn2)CC1.CCOC(=O)Cl.CCOC(=O)N1CCN(c2ccnn3cc(-c4cnc(N5CCN(C(C)C)CC5)cn4)cc23)CC1.Cl.

What is the InChIKey of ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride?

The InChIKey is JHIKTLADYIWYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O2.C22H30N8.C3H5ClO2.ClH/c1-4-35-25(34)32-13-9-30(10-14-32)22-5-6-28-33-18-20(15-23(22)33)21-16-27-24(17-26-21)31-11-7-29(8-12-31)19(2)3;1-17(2)27-9-11-29(12-10-27)22-15-24-19(14-25-22)18-13-21-20(3-4-26-30(21)16-18)28-7-5-23-6-8-28;1-2-6-3(4)5;/h5-6,15-19H,4,7-14H2,1-3H3;3-4,13-17,23H,5-12H2,1-2H3;2H2,1H3;1H.

What are the key properties of ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride?

ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride has a molecular weight of 1030.12 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride is sourced from PubChem (CID 161305142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).