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

C45H58N12O2 — CID 157340601

IUPAC6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1.COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C23H31N7O.C22H27N5O/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;1-21(2)11-18(12-22(3,4)27-21)28-20-10-9-19(25-26-20)16-7-5-15(6-8-16)17-13-23-24-14-17/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);5-10,13-14,18,27H,11-12H2,1-4H3,(H,23,24)
InChIKeyBGIQXSJSGZUFCL-UHFFFAOYSA-N
MW799.04 g/mol
LogP7.90
Rot. Bonds9

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

6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (PubChem CID 157340601) has the molecular formula C45H58N12O2 and a molecular weight of 799.04 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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.

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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
PubChem CID157340601
Molecular FormulaC45H58N12O2
Molecular Weight799.04 g/mol
Exact Mass798.48
IUPAC Name6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1.COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C23H31N7O.C22H27N5O/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;1-21(2)11-18(12-22(3,4)27-21)28-20-10-9-19(25-26-20)16-7-5-15(6-8-16)17-13-23-24-14-17/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);5-10,13-14,18,27H,11-12H2,1-4H3,(H,23,24)
InChIKeyBGIQXSJSGZUFCL-UHFFFAOYSA-N
XLogP7.90
TPSA167.57 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.04
LogP ≤ 57.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine with MolForge

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Related Compounds

2-methyl-4-[[5-[6-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 142760552
N-[6-[4-fluoro-6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 166173621
(2R,4S)-N-[[5-[3-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-7-fluoro-6H-isochromeno[3,4-b]pyridin-8-yl]-3-methoxypyridazin-1-ium-1-yl]methyl]-2-methyl-N-[8-(1H-pyrazol-4-yl)-6H-benzo[c]chromen-3-yl]piperidin-4-amine
CID 167503067
N-[[(1S,3S,5R)-6,6-difluoro-3-[[9-fluoro-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-yl]oxy]-8-azabicyclo[3.2.1]octan-1-yl]methyl]-9-fluoro-8-(6-methoxypyridazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
CID 167503149
N-[6-[4-fluoro-6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 168149111
(1R,5S)-N-[6-[4-fluoro-6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 170373658
(1S,5R)-N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 170373703
N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 170519242
(3S)-3-methyl-4-[3-[2-[2-[(3R)-3-methylmorpholin-4-yl]-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-4-yl]propan-2-yloxy]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869493
6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 129219765
6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 129219766
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

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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (CID 157340601) is 6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.
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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1.COc1nc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The InChIKey is BGIQXSJSGZUFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O.C22H27N5O/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;1-21(2)11-18(12-22(3,4)27-21)28-20-10-9-19(25-26-20)16-7-5-15(6-8-16)17-13-23-24-14-17/h7-10,13-14,16,29H,11-12H2,1-6H3,(H,24,25);5-10,13-14,18,27H,11-12H2,1-4H3,(H,23,24).
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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
6-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine has a molecular weight of 799.04 g/mol, XLogP of 7.90, 9 rotatable bonds, 4 hydrogen bond donors, and 12 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;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is sourced from PubChem (CID 157340601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).