2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol

C67H78N22O4 — CID 158192534

IUPAC2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
SMILESCNc1nc2cc(-c3ccc(-c4cn[nH]c4)cc3O)nnc2n1C1CC(C)(C)NC(C)(C)C1.COc1nc2cc(-c3ccc(-c4cn[nH]c4)cc3O)nnc2n1C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2[nH]cc(N3CCNCC3)c2nn1
InChIInChI=1S/C24H30N8O.C24H29N7O2.C19H19N7O/c1-23(2)10-16(11-24(3,4)31-23)32-21-19(28-22(32)25-5)9-18(29-30-21)17-7-6-14(8-20(17)33)15-12-26-27-13-15;1-23(2)10-16(11-24(3,4)30-23)31-21-19(27-22(31)33-5)9-18(28-29-21)17-7-6-14(8-20(17)32)15-12-25-26-13-15;27-18-7-12(13-9-22-23-10-13)1-2-14(18)15-8-16-19(25-24-15)17(11-21-16)26-5-3-20-4-6-26/h6-9,12-13,16,31,33H,10-11H2,1-5H3,(H,25,28)(H,26,27);6-9,12-13,16,30,32H,10-11H2,1-5H3,(H,25,26);1-2,7-11,20-21,27H,3-6H2,(H,22,23)
InChIKeyFZYBQYUREZLSJE-UHFFFAOYSA-N
MW1255.51 g/mol
LogP10.32
Rot. Bonds11

About 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol

2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol (PubChem CID 158192534) has the molecular formula C67H78N22O4 and a molecular weight of 1255.51 g/mol. Its IUPAC name is 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
PubChem CID158192534
Molecular FormulaC67H78N22O4
Molecular Weight1255.51 g/mol
Exact Mass1254.66
IUPAC Name2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
SMILESCNc1nc2cc(-c3ccc(-c4cn[nH]c4)cc3O)nnc2n1C1CC(C)(C)NC(C)(C)C1.COc1nc2cc(-c3ccc(-c4cn[nH]c4)cc3O)nnc2n1C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2[nH]cc(N3CCNCC3)c2nn1
InChIInChI=1S/C24H30N8O.C24H29N7O2.C19H19N7O/c1-23(2)10-16(11-24(3,4)31-23)32-21-19(28-22(32)25-5)9-18(29-30-21)17-7-6-14(8-20(17)33)15-12-26-27-13-15;1-23(2)10-16(11-24(3,4)30-23)31-21-19(27-22(31)33-5)9-18(28-29-21)17-7-6-14(8-20(17)32)15-12-25-26-13-15;27-18-7-12(13-9-22-23-10-13)1-2-14(18)15-8-16-19(25-24-15)17(11-21-16)26-5-3-20-4-6-26/h6-9,12-13,16,31,33H,10-11H2,1-5H3,(H,25,28)(H,26,27);6-9,12-13,16,30,32H,10-11H2,1-5H3,(H,25,26);1-2,7-11,20-21,27H,3-6H2,(H,22,23)
InChIKeyFZYBQYUREZLSJE-UHFFFAOYSA-N
XLogP10.32
TPSA336.09 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001255.51
LogP ≤ 510.32
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol (CID 158192534) is 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol is CNc1nc2cc(-c3ccc(-c4cn[nH]c4)cc3O)nnc2n1C1CC(C)(C)NC(C)(C)C1.COc1nc2cc(-c3ccc(-c4cn[nH]c4)cc3O)nnc2n1C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2[nH]cc(N3CCNCC3)c2nn1.
What is the InChIKey of 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is FZYBQYUREZLSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O.C24H29N7O2.C19H19N7O/c1-23(2)10-16(11-24(3,4)31-23)32-21-19(28-22(32)25-5)9-18(29-30-21)17-7-6-14(8-20(17)33)15-12-26-27-13-15;1-23(2)10-16(11-24(3,4)30-23)31-21-19(27-22(31)33-5)9-18(28-29-21)17-7-6-14(8-20(17)32)15-12-25-26-13-15;27-18-7-12(13-9-22-23-10-13)1-2-14(18)15-8-16-19(25-24-15)17(11-21-16)26-5-3-20-4-6-26/h6-9,12-13,16,31,33H,10-11H2,1-5H3,(H,25,28)(H,26,27);6-9,12-13,16,30,32H,10-11H2,1-5H3,(H,25,26);1-2,7-11,20-21,27H,3-6H2,(H,22,23).
What are the key properties of 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol?
2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 1255.51 g/mol, XLogP of 10.32, 11 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(methylamino)-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-(7-piperazin-1-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 158192534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).