6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine

C42H52N14O5 — CID 176919250

IUPAC6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine
SMILESCc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cn4nc(COc5ccc(NC6CCC(Oc7cc(N8CCOCC8)cn8ncnc78)CC6)nn5)nc34)CC2)n1
InChIInChI=1S/C42H52N14O5/c1-28-43-13-12-37(46-28)47-29-2-6-34(7-3-29)61-36-23-32(54-16-20-58-21-17-54)25-56-42(36)49-39(52-56)26-59-40-11-10-38(50-51-40)48-30-4-8-33(9-5-30)60-35-22-31(53-14-18-57-19-15-53)24-55-41(35)44-27-45-55/h10-13,22-25,27,29-30,33-34H,2-9,14-21,26H2,1H3,(H,48,50)(H,43,46,47)
InChIKeyDWYIIEJTNJPJAW-UHFFFAOYSA-N
MW832.97 g/mol
LogP4.52
Rot. Bonds13

About 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine

6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine (PubChem CID 176919250) has the molecular formula C42H52N14O5 and a molecular weight of 832.97 g/mol. Its IUPAC name is 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine
PubChem CID176919250
Molecular FormulaC42H52N14O5
Molecular Weight832.97 g/mol
Exact Mass832.42
IUPAC Name6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine
SMILESCc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cn4nc(COc5ccc(NC6CCC(Oc7cc(N8CCOCC8)cn8ncnc78)CC6)nn5)nc34)CC2)n1
InChIInChI=1S/C42H52N14O5/c1-28-43-13-12-37(46-28)47-29-2-6-34(7-3-29)61-36-23-32(54-16-20-58-21-17-54)25-56-42(36)49-39(52-56)26-59-40-11-10-38(50-51-40)48-30-4-8-33(9-5-30)60-35-22-31(53-14-18-57-19-15-53)24-55-41(35)44-27-45-55/h10-13,22-25,27,29-30,33-34H,2-9,14-21,26H2,1H3,(H,48,50)(H,43,46,47)
InChIKeyDWYIIEJTNJPJAW-UHFFFAOYSA-N
XLogP4.52
TPSA188.63 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.97
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-7-morpholin-4-ylquinazolin-4-one
CID 139330620
4-[8-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 176919257
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847
2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
CID 134604932
2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine
CID 121335912
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
CID 86280904
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
CID 139330388
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
6-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335602
6-[2-(dimethylamino)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335601

Frequently Asked Questions

What is the IUPAC name of 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine?
The IUPAC name of 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine (CID 176919250) is 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine.
What is the SMILES notation for 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine?
The canonical SMILES for 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine is Cc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cn4nc(COc5ccc(NC6CCC(Oc7cc(N8CCOCC8)cn8ncnc78)CC6)nn5)nc34)CC2)n1.
What is the InChIKey of 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine?
The InChIKey is DWYIIEJTNJPJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N14O5/c1-28-43-13-12-37(46-28)47-29-2-6-34(7-3-29)61-36-23-32(54-16-20-58-21-17-54)25-56-42(36)49-39(52-56)26-59-40-11-10-38(50-51-40)48-30-4-8-33(9-5-30)60-35-22-31(53-14-18-57-19-15-53)24-55-41(35)44-27-45-55/h10-13,22-25,27,29-30,33-34H,2-9,14-21,26H2,1H3,(H,48,50)(H,43,46,47).
What are the key properties of 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine?
6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine has a molecular weight of 832.97 g/mol, XLogP of 4.52, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine is sourced from PubChem (CID 176919250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).