tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate

C23H27N5O3 — CID 131748432

IUPACtert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCOc1cc2ccncc2cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C23H27N5O3/c1-23(2,3)31-22(29)28-11-9-27(10-12-28)21-6-5-19(25-26-21)18-13-17-15-24-8-7-16(17)14-20(18)30-4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyPYWMYLZNELAYDH-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 131748432) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID131748432
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Nametert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCOc1cc2ccncc2cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C23H27N5O3/c1-23(2,3)31-22(29)28-11-9-27(10-12-28)21-6-5-19(25-26-21)18-13-17-15-24-8-7-16(17)14-20(18)30-4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyPYWMYLZNELAYDH-UHFFFAOYSA-N
XLogP3.76
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[6-(2-hydroxy-4-pyrazol-1-ylphenyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 139270457
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
CID 145279147
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-[6-(N'-hydroxycarbamimidoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 175623819
tert-butyl 4-(6-iodopyridazin-3-yl)piperazine-1-carboxylate;3-chloro-6-iodopyridazine
CID 161346110
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate (CID 131748432) is tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate is COc1cc2ccncc2cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nn1.
What is the InChIKey of tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is PYWMYLZNELAYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-23(2,3)31-22(29)28-11-9-27(10-12-28)21-6-5-19(25-26-21)18-13-17-15-24-8-7-16(17)14-20(18)30-4/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate?
tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(6-methoxyisoquinolin-7-yl)pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 131748432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).