1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide

C215H267F2N59O6S4 — CID 157377738

IUPAC1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CSc1nccc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)n1.Cc1cc(-c2nnc(N3CCC(NCc4ccc(F)cc4C)CC3)c(C)c2C)ccn1.Cc1ccc(-c2nnc(N3CCC(N(C)Cc4ccc(F)cc4C)CC3)c(C)c2C)cn1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(C)c(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)s1.Cc1nc(C)c(CN(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)s1.Cc1nc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)c(C)o1.Cc1nc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c(C)o1.O=S=O
InChIInChI=1S/C26H32FN5.C25H30FN5.C25H27N7O2.C25H28N6.C24H29N7O.C24H29N7S.C22H30N8S.C22H31N7O.C22H31N7S.O2S/c1-17-14-23(27)9-8-22(17)16-31(5)24-10-12-32(13-11-24)26-20(4)19(3)25(29-30-26)21-7-6-18(2)28-15-21;1-16-13-22(26)6-5-21(16)15-28-23-8-11-31(12-9-23)25-19(4)18(3)24(29-30-25)20-7-10-27-17(2)14-20;1-29(17-18-7-3-6-10-22(18)32(33)34)19-12-15-31(16-13-19)25-21-9-5-4-8-20(21)24(27-28-25)23-11-14-26-30(23)2;1-18-7-3-4-8-19(18)17-26-20-12-15-31(16-13-20)25-22-10-6-5-9-21(22)24(28-29-25)23-11-14-27-30(23)2;1-16-21(26-17(2)32-16)15-29(3)18-10-13-31(14-11-18)24-20-8-6-5-7-19(20)23(27-28-24)22-9-12-25-30(22)4;1-16-22(32-17(2)26-16)15-29(3)18-10-13-31(14-11-18)24-20-8-6-5-7-19(20)23(27-28-24)21-9-12-25-30(21)4;1-15-16(2)21(27-26-20(15)19-7-11-24-29(19)4)30-12-8-18(9-13-30)28(3)14-17-6-10-23-22(25-17)31-5;1-14-15(2)22(26-25-21(14)20-7-10-23-28(20)6)29-11-8-18(9-12-29)27(5)13-19-16(3)30-17(4)24-19;1-14-15(2)22(26-25-21(14)19-7-10-23-28(19)6)29-11-8-18(9-12-29)27(5)13-20-16(3)24-17(4)30-20;1-3-2/h6-9,14-15,24H,10-13,16H2,1-5H3;5-7,10,13-14,23,28H,8-9,11-12,15H2,1-4H3;3-11,14,19H,12-13,15-17H2,1-2H3;3-11,14,20,26H,12-13,15-17H2,1-2H3;2*5-9,12,18H,10-11,13-15H2,1-4H3;6-7,10-11,18H,8-9,12-14H2,1-5H3;2*7,10,18H,8-9,11-13H2,1-6H3;
InChIKeyBKMZCHJPBCARDG-UHFFFAOYSA-N
MW3940.17 g/mol
LogP35.06
Rot. Bonds47

About 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide

1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide (PubChem CID 157377738) has the molecular formula C215H267F2N59O6S4 and a molecular weight of 3940.17 g/mol. Its IUPAC name is 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide.

Molecular Properties

Compound Name1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide
PubChem CID157377738
Molecular FormulaC215H267F2N59O6S4
Molecular Weight3940.17 g/mol
Exact Mass3937.13
IUPAC Name1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CSc1nccc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)n1.Cc1cc(-c2nnc(N3CCC(NCc4ccc(F)cc4C)CC3)c(C)c2C)ccn1.Cc1ccc(-c2nnc(N3CCC(N(C)Cc4ccc(F)cc4C)CC3)c(C)c2C)cn1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(C)c(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)s1.Cc1nc(C)c(CN(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)s1.Cc1nc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)c(C)o1.Cc1nc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c(C)o1.O=S=O
InChIInChI=1S/C26H32FN5.C25H30FN5.C25H27N7O2.C25H28N6.C24H29N7O.C24H29N7S.C22H30N8S.C22H31N7O.C22H31N7S.O2S/c1-17-14-23(27)9-8-22(17)16-31(5)24-10-12-32(13-11-24)26-20(4)19(3)25(29-30-26)21-7-6-18(2)28-15-21;1-16-13-22(26)6-5-21(16)15-28-23-8-11-31(12-9-23)25-19(4)18(3)24(29-30-25)20-7-10-27-17(2)14-20;1-29(17-18-7-3-6-10-22(18)32(33)34)19-12-15-31(16-13-19)25-21-9-5-4-8-20(21)24(27-28-25)23-11-14-26-30(23)2;1-18-7-3-4-8-19(18)17-26-20-12-15-31(16-13-20)25-22-10-6-5-9-21(22)24(28-29-25)23-11-14-27-30(23)2;1-16-21(26-17(2)32-16)15-29(3)18-10-13-31(14-11-18)24-20-8-6-5-7-19(20)23(27-28-24)22-9-12-25-30(22)4;1-16-22(32-17(2)26-16)15-29(3)18-10-13-31(14-11-18)24-20-8-6-5-7-19(20)23(27-28-24)21-9-12-25-30(21)4;1-15-16(2)21(27-26-20(15)19-7-11-24-29(19)4)30-12-8-18(9-13-30)28(3)14-17-6-10-23-22(25-17)31-5;1-14-15(2)22(26-25-21(14)20-7-10-23-28(20)6)29-11-8-18(9-12-29)27(5)13-19-16(3)30-17(4)24-19;1-14-15(2)22(26-25-21(14)19-7-10-23-28(19)6)29-11-8-18(9-12-29)27(5)13-20-16(3)24-17(4)30-20;1-3-2/h6-9,14-15,24H,10-13,16H2,1-5H3;5-7,10,13-14,23,28H,8-9,11-12,15H2,1-4H3;3-11,14,19H,12-13,15-17H2,1-2H3;3-11,14,20,26H,12-13,15-17H2,1-2H3;2*5-9,12,18H,10-11,13-15H2,1-4H3;6-7,10-11,18H,8-9,12-14H2,1-5H3;2*7,10,18H,8-9,11-13H2,1-6H3;
InChIKeyBKMZCHJPBCARDG-UHFFFAOYSA-N
XLogP35.06
TPSA639.34 Ų
H-Bond Donors2
H-Bond Acceptors67
Rotatable Bonds47
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003940.17
LogP ≤ 535.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide?
The IUPAC name of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide (CID 157377738) is 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide.
What is the SMILES notation for 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide?
The canonical SMILES for 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide is CN(Cc1ccccc1[N+](=O)[O-])C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CSc1nccc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)n1.Cc1cc(-c2nnc(N3CCC(NCc4ccc(F)cc4C)CC3)c(C)c2C)ccn1.Cc1ccc(-c2nnc(N3CCC(N(C)Cc4ccc(F)cc4C)CC3)c(C)c2C)cn1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(C)c(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)s1.Cc1nc(C)c(CN(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)s1.Cc1nc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)c(C)o1.Cc1nc(CN(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c(C)o1.O=S=O.
What is the InChIKey of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide?
The InChIKey is BKMZCHJPBCARDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5.C25H30FN5.C25H27N7O2.C25H28N6.C24H29N7O.C24H29N7S.C22H30N8S.C22H31N7O.C22H31N7S.O2S/c1-17-14-23(27)9-8-22(17)16-31(5)24-10-12-32(13-11-24)26-20(4)19(3)25(29-30-26)21-7-6-18(2)28-15-21;1-16-13-22(26)6-5-21(16)15-28-23-8-11-31(12-9-23)25-19(4)18(3)24(29-30-25)20-7-10-27-17(2)14-20;1-29(17-18-7-3-6-10-22(18)32(33)34)19-12-15-31(16-13-19)25-21-9-5-4-8-20(21)24(27-28-25)23-11-14-26-30(23)2;1-18-7-3-4-8-19(18)17-26-20-12-15-31(16-13-20)25-22-10-6-5-9-21(22)24(28-29-25)23-11-14-27-30(23)2;1-16-21(26-17(2)32-16)15-29(3)18-10-13-31(14-11-18)24-20-8-6-5-7-19(20)23(27-28-24)22-9-12-25-30(22)4;1-16-22(32-17(2)26-16)15-29(3)18-10-13-31(14-11-18)24-20-8-6-5-7-19(20)23(27-28-24)21-9-12-25-30(21)4;1-15-16(2)21(27-26-20(15)19-7-11-24-29(19)4)30-12-8-18(9-13-30)28(3)14-17-6-10-23-22(25-17)31-5;1-14-15(2)22(26-25-21(14)20-7-10-23-28(20)6)29-11-8-18(9-12-29)27(5)13-19-16(3)30-17(4)24-19;1-14-15(2)22(26-25-21(14)19-7-10-23-28(19)6)29-11-8-18(9-12-29)27(5)13-20-16(3)24-17(4)30-20;1-3-2/h6-9,14-15,24H,10-13,16H2,1-5H3;5-7,10,13-14,23,28H,8-9,11-12,15H2,1-4H3;3-11,14,19H,12-13,15-17H2,1-2H3;3-11,14,20,26H,12-13,15-17H2,1-2H3;2*5-9,12,18H,10-11,13-15H2,1-4H3;6-7,10-11,18H,8-9,12-14H2,1-5H3;2*7,10,18H,8-9,11-13H2,1-6H3;.
What are the key properties of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide?
1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide has a molecular weight of 3940.17 g/mol, XLogP of 35.06, 47 rotatable bonds, 2 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(6-methyl-3-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methyl-4-pyridinyl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-nitrophenyl)methyl]piperidin-4-amine;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;sulfur dioxide is sourced from PubChem (CID 157377738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).