5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C66H80N22O5 — CID 161201179

IUPAC5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC1(C)CC(Nc2ncc(-c3ccc(-c4ncco4)cc3O)nn2)CC(C)(C)N1.CN(c1ncc(-c2ccc(-c3cc(CN)c4nccn4n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC3(CNCCO3)C2)nn1
InChIInChI=1S/C26H33N9O.C21H26N6O2.C19H21N7O2/c1-25(2)12-18(13-26(3,4)33-25)34(5)24-29-15-21(30-31-24)19-7-6-16(11-22(19)36)20-10-17(14-27)23-28-8-9-35(23)32-20;1-20(2)10-14(11-21(3,4)27-20)24-19-23-12-16(25-26-19)15-6-5-13(9-17(15)28)18-22-7-8-29-18;27-17-7-13(14-8-22-23-9-14)1-2-15(17)16-10-21-18(25-24-16)26-5-3-19(12-26)11-20-4-6-28-19/h6-11,15,18,33,36H,12-14,27H2,1-5H3;5-9,12,14,27-28H,10-11H2,1-4H3,(H,23,24,26);1-2,7-10,20,27H,3-6,11-12H2,(H,22,23)
InChIKeyUUZOFSQNPAYOBA-UHFFFAOYSA-N
MW1261.51 g/mol
LogP7.98
Rot. Bonds12

About 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 161201179) has the molecular formula C66H80N22O5 and a molecular weight of 1261.51 g/mol. Its IUPAC name is 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID161201179
Molecular FormulaC66H80N22O5
Molecular Weight1261.51 g/mol
Exact Mass1260.67
IUPAC Name5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCC1(C)CC(Nc2ncc(-c3ccc(-c4ncco4)cc3O)nn2)CC(C)(C)N1.CN(c1ncc(-c2ccc(-c3cc(CN)c4nccn4n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC3(CNCCO3)C2)nn1
InChIInChI=1S/C26H33N9O.C21H26N6O2.C19H21N7O2/c1-25(2)12-18(13-26(3,4)33-25)34(5)24-29-15-21(30-31-24)19-7-6-16(11-22(19)36)20-10-17(14-27)23-28-8-9-35(23)32-20;1-20(2)10-14(11-21(3,4)27-20)24-19-23-12-16(25-26-19)15-6-5-13(9-17(15)28)18-22-7-8-29-18;27-17-7-13(14-8-22-23-9-14)1-2-15(17)16-10-21-18(25-24-16)26-5-3-19(12-26)11-20-4-6-28-19/h6-11,15,18,33,36H,12-14,27H2,1-5H3;5-9,12,14,27-28H,10-11H2,1-4H3,(H,23,24,26);1-2,7-10,20,27H,3-6,11-12H2,(H,22,23)
InChIKeyUUZOFSQNPAYOBA-UHFFFAOYSA-N
XLogP7.98
TPSA351.45 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001261.51
LogP ≤ 57.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol with MolForge

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Related Compounds

5-(1,3-Oxazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156699331
US10934302, Example 61
CID 156119647
12-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[3-methoxy-4-(piperidin-1-ylmethyl)phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[[4-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]phenyl]methyl]morpholine;4-(1-methylpyrazol-4-yl)-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-oxazole
CID 159941433
CID 164136222
CID 164136222
2-[3-[7-[[2-[4-[3-[3-(Tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1,3-oxazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol
CID 156042570
N-[4-[4-amino-1-[1-(furan-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-b]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 157120482
5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;5-(2-methyl-4-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyridin-4-ylphenol;5-(1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol
CID 157128662
5-(4-Methoxy-1,3,5-triazin-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(2-methyl-1,3-oxazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-methylpyrazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 157140197
3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-phenyl-1-pyridin-2-ylbutan-2-one;2-[7-amino-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(3-hydroxyoxetan-3-yl)methyl]-2-phenylpropanamide
CID 157147876
1-benzofuran-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-methylpyrazin-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrazolo[4,3-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridin-3-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
CID 157173523
5-(1-Cyclopentylpyrazol-4-yl)-3-methoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-methoxy-5-(3-methoxyphenyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-methoxy-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-methoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyridin-3-ylphenol;3-methoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)phenol;5-(5-methyl-1,3-oxazol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylmethoxyphenol
CID 157181685
2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-[[(3S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[[(3S)-3-(hydroxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-imidazo[1,2-a]pyrazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;5-(1-methylindazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 157247254

Frequently Asked Questions

What is the IUPAC name of 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 161201179) is 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CC1(C)CC(Nc2ncc(-c3ccc(-c4ncco4)cc3O)nn2)CC(C)(C)N1.CN(c1ncc(-c2ccc(-c3cc(CN)c4nccn4n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC3(CNCCO3)C2)nn1.
What is the InChIKey of 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is UUZOFSQNPAYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O.C21H26N6O2.C19H21N7O2/c1-25(2)12-18(13-26(3,4)33-25)34(5)24-29-15-21(30-31-24)19-7-6-16(11-22(19)36)20-10-17(14-27)23-28-8-9-35(23)32-20;1-20(2)10-14(11-21(3,4)27-20)24-19-23-12-16(25-26-19)15-6-5-13(9-17(15)28)18-22-7-8-29-18;27-17-7-13(14-8-22-23-9-14)1-2-15(17)16-10-21-18(25-24-16)26-5-3-19(12-26)11-20-4-6-28-19/h6-11,15,18,33,36H,12-14,27H2,1-5H3;5-9,12,14,27-28H,10-11H2,1-4H3,(H,23,24,26);1-2,7-10,20,27H,3-6,11-12H2,(H,22,23).
What are the key properties of 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 1261.51 g/mol, XLogP of 7.98, 12 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(aminomethyl)imidazo[1,2-b]pyridazin-6-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1,3-oxazol-2-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 161201179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).