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

C23H32ClN7O — CID 129219859

IUPAC6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride
SMILESCOc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cl
InChIInChI=1S/C23H31N7O.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;/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);1H
InChIKeyLSHRYGPFYDODIL-UHFFFAOYSA-N
MW458.01 g/mol
LogP4.10
Rot. Bonds5

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

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 129219859) has the molecular formula C23H32ClN7O and a molecular weight of 458.01 g/mol. Its IUPAC name is 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 Name6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride
PubChem CID129219859
Molecular FormulaC23H32ClN7O
Molecular Weight458.01 g/mol
Exact Mass457.24
IUPAC Name6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride
SMILESCOc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cl
InChIInChI=1S/C23H31N7O.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;/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);1H
InChIKeyLSHRYGPFYDODIL-UHFFFAOYSA-N
XLogP4.10
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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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Related Compounds

4-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine
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7-Methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]
CID 177382887
3-(6-Methoxypyridin-3-yl)-6-pyrrolidin-1-ylpyridazine
CID 56709307
N-cyclopentyl-6-(2-methoxypyridin-3-yl)pyridazin-3-amine
CID 56715772
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74249694
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 2812603
1-methyl-4-[4-pyridin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]piperazine
CID 15485909
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 44621099
6-[3-(6-Methoxy-pyridin-3-yl)-5-trifluoromethyl-pyrazol-1-yl]-pyridazin-3-ylamine
CID 57861929
2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine
CID 66631969
5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
CID 66865051

Frequently Asked Questions

What is the IUPAC name of 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 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 129219859) is 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 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 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 COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cl.
What is the InChIKey of 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 LSHRYGPFYDODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O.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;/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);1H.
What are the key properties of 6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;hydrochloride?
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 458.01 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 129219859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).