2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride

C43H55ClN12O3 — CID 137197216

IUPAC2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride
SMILESCC1CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)N1.COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cl
InChIInChI=1S/C23H31N7O.C20H23N5O2.ClH/c1-22(2)11-16(12-23(3,4)29-22)30(5)20-10-9-19(27-28-20)17-7-8-18(26-21(17)31-6)15-13-24-25-14-15;1-12-7-16(8-13(2)23-12)27-20-6-5-18(24-25-20)17-4-3-14(9-19(17)26)15-10-21-22-11-15;/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);3-6,9-13,16,23,26H,7-8H2,1-2H3,(H,21,22);1H
InChIKeyBURWEQWIJQLMSG-UHFFFAOYSA-N
MW823.45 g/mol
LogP7.25
Rot. Bonds9

About 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride

2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride (PubChem CID 137197216) has the molecular formula C43H55ClN12O3 and a molecular weight of 823.45 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride
PubChem CID137197216
Molecular FormulaC43H55ClN12O3
Molecular Weight823.45 g/mol
Exact Mass822.42
IUPAC Name2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride
SMILESCC1CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)N1.COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cl
InChIInChI=1S/C23H31N7O.C20H23N5O2.ClH/c1-22(2)11-16(12-23(3,4)29-22)30(5)20-10-9-19(27-28-20)17-7-8-18(26-21(17)31-6)15-13-24-25-14-15;1-12-7-16(8-13(2)23-12)27-20-6-5-18(24-25-20)17-4-3-14(9-19(17)26)15-10-21-22-11-15;/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);3-6,9-13,16,23,26H,7-8H2,1-2H3,(H,21,22);1H
InChIKeyBURWEQWIJQLMSG-UHFFFAOYSA-N
XLogP7.25
TPSA187.80 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500823.45
LogP ≤ 57.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride?
The IUPAC name of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride (CID 137197216) is 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride?
The canonical SMILES for 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride is CC1CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)N1.COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cl.
What is the InChIKey of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride?
The InChIKey is BURWEQWIJQLMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O.C20H23N5O2.ClH/c1-22(2)11-16(12-23(3,4)29-22)30(5)20-10-9-19(27-28-20)17-7-8-18(26-21(17)31-6)15-13-24-25-14-15;1-12-7-16(8-13(2)23-12)27-20-6-5-18(24-25-20)17-4-3-14(9-19(17)26)15-10-21-22-11-15;/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);3-6,9-13,16,23,26H,7-8H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride?
2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride has a molecular weight of 823.45 g/mol, XLogP of 7.25, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 137197216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).