2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol

C102H121N29O5 — CID 158209640

IUPAC2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESCC1(C)CN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CCN1.CC1(N)CCN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1.CN(C)C1CCCN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)C1.CN1C(C)(C)CC(Cc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1(C)C.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCC3(CCCN3)C2)nn1
InChIInChI=1S/C24H31N5O.C20H22N6O.C20H24N6O.2C19H22N6O/c1-23(2)15-17(16-24(3,4)28(23)5)13-18-7-10-21(27-26-18)20-9-8-19(14-22(20)30)29-12-6-11-25-29;27-18-13-15(26-11-2-10-22-26)3-4-16(18)17-5-6-19(24-23-17)25-12-8-20(14-25)7-1-9-21-20;1-24(2)16-5-3-11-25(14-16)20-9-8-18(22-23-20)17-7-6-15(13-19(17)27)26-12-4-10-21-26;1-19(2)13-24(11-9-20-19)18-7-6-16(22-23-18)15-5-4-14(12-17(15)26)25-10-3-8-21-25;1-19(20)7-11-24(12-8-19)18-6-5-16(22-23-18)15-4-3-14(13-17(15)26)25-10-2-9-21-25/h6-12,14,17,30H,13,15-16H2,1-5H3;2-6,10-11,13,21,27H,1,7-9,12,14H2;4,6-10,12-13,16,27H,3,5,11,14H2,1-2H3;3-8,10,12,20,26H,9,11,13H2,1-2H3;2-6,9-10,13,26H,7-8,11-12,20H2,1H3
InChIKeyGBXMQPSLKHIHMZ-UHFFFAOYSA-N
MW1833.29 g/mol
LogP13.98
Rot. Bonds17

About 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol

2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol (PubChem CID 158209640) has the molecular formula C102H121N29O5 and a molecular weight of 1833.29 g/mol. Its IUPAC name is 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
PubChem CID158209640
Molecular FormulaC102H121N29O5
Molecular Weight1833.29 g/mol
Exact Mass1832.01
IUPAC Name2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESCC1(C)CN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CCN1.CC1(N)CCN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1.CN(C)C1CCCN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)C1.CN1C(C)(C)CC(Cc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1(C)C.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCC3(CCCN3)C2)nn1
InChIInChI=1S/C24H31N5O.C20H22N6O.C20H24N6O.2C19H22N6O/c1-23(2)15-17(16-24(3,4)28(23)5)13-18-7-10-21(27-26-18)20-9-8-19(14-22(20)30)29-12-6-11-25-29;27-18-13-15(26-11-2-10-22-26)3-4-16(18)17-5-6-19(24-23-17)25-12-8-20(14-25)7-1-9-21-20;1-24(2)16-5-3-11-25(14-16)20-9-8-18(22-23-20)17-7-6-15(13-19(17)27)26-12-4-10-21-26;1-19(2)13-24(11-9-20-19)18-7-6-16(22-23-18)15-5-4-14(12-17(15)26)25-10-3-8-21-25;1-19(20)7-11-24(12-8-19)18-6-5-16(22-23-18)15-4-3-14(13-17(15)26)25-10-2-9-21-25/h6-12,14,17,30H,13,15-16H2,1-5H3;2-6,10-11,13,21,27H,1,7-9,12,14H2;4,6-10,12-13,16,27H,3,5,11,14H2,1-2H3;3-8,10,12,20,26H,9,11,13H2,1-2H3;2-6,9-10,13,26H,7-8,11-12,20H2,1H3
InChIKeyGBXMQPSLKHIHMZ-UHFFFAOYSA-N
XLogP13.98
TPSA388.67 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001833.29
LogP ≤ 513.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol
CID 163859408
2-[6-(1,7-Diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 136598211
2-[6-(4-Amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137361723
2-[6-(1,7-Diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(hydroxymethyl)piperazin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137361935
2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
CID 137361980
2-[6-(3,6-Diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(2,7-diazaspiro[3.5]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137362007
2-[6-(Azetidin-3-ylamino)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137362009
2-[6-[2-Hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-pyrazol-1-ylphenol
CID 157137593
5-(4-Fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 157184835
5-(3-aminopyrazol-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(4-aminopyrazol-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157265879
2-[6-(1,4-Diazepan-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 157623259
3-[6-(Azetidin-3-ylamino)pyridazin-3-yl]naphthalen-2-ol;2-[6-(azetidin-3-ylamino)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 157776194

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol (CID 158209640) is 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol is CC1(C)CN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CCN1.CC1(N)CCN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1.CN(C)C1CCCN(c2ccc(-c3ccc(-n4cccn4)cc3O)nn2)C1.CN1C(C)(C)CC(Cc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1(C)C.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCC3(CCCN3)C2)nn1.
What is the InChIKey of 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The InChIKey is GBXMQPSLKHIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O.C20H22N6O.C20H24N6O.2C19H22N6O/c1-23(2)15-17(16-24(3,4)28(23)5)13-18-7-10-21(27-26-18)20-9-8-19(14-22(20)30)29-12-6-11-25-29;27-18-13-15(26-11-2-10-22-26)3-4-16(18)17-5-6-19(24-23-17)25-12-8-20(14-25)7-1-9-21-20;1-24(2)16-5-3-11-25(14-16)20-9-8-18(22-23-20)17-7-6-15(13-19(17)27)26-12-4-10-21-26;1-19(2)13-24(11-9-20-19)18-7-6-16(22-23-18)15-5-4-14(12-17(15)26)25-10-3-8-21-25;1-19(20)7-11-24(12-8-19)18-6-5-16(22-23-18)15-4-3-14(13-17(15)26)25-10-2-9-21-25/h6-12,14,17,30H,13,15-16H2,1-5H3;2-6,10-11,13,21,27H,1,7-9,12,14H2;4,6-10,12-13,16,27H,3,5,11,14H2,1-2H3;3-8,10,12,20,26H,9,11,13H2,1-2H3;2-6,9-10,13,26H,7-8,11-12,20H2,1H3.
What are the key properties of 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol has a molecular weight of 1833.29 g/mol, XLogP of 13.98, 17 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-amino-4-methylpiperidin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[3-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(3,3-dimethylpiperazin-1-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 158209640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).