6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile

C84H83Cl4N43 — CID 158323271

IUPAC6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile
SMILESCc1ccc(N2CCC(Nc3nc(Nc4cc5ncc(C)n5cn4)ncc3Cl)CC2)nn1.Cc1cn2ncc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)cc2n1.Cc1nc2cc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)ccn2n1.Cc1nc2ccc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)cn2n1
InChIInChI=1S/3C21H20ClN11.C21H23ClN10/c1-13-25-18-4-3-16(12-33(18)31-13)27-21-24-11-17(22)20(28-21)26-14-6-8-32(9-7-14)19-5-2-15(10-23)29-30-19;1-13-25-19-10-15(6-9-33(19)31-13)27-21-24-12-17(22)20(28-21)26-14-4-7-32(8-5-14)18-3-2-16(11-23)29-30-18;1-13-12-33-19(26-13)8-16(10-25-33)28-21-24-11-17(22)20(29-21)27-14-4-6-32(7-5-14)18-3-2-15(9-23)30-31-18;1-13-3-4-18(30-29-13)31-7-5-15(6-8-31)26-20-16(22)11-24-21(28-20)27-17-9-19-23-10-14(2)32(19)12-25-17/h2-5,11-12,14H,6-9H2,1H3,(H2,24,26,27,28);2-3,6,9-10,12,14H,4-5,7-8H2,1H3,(H2,24,26,27,28);2-3,8,10-12,14H,4-7H2,1H3,(H2,24,27,28,29);3-4,9-12,15H,5-8H2,1-2H3,(H2,24,26,27,28)
InChIKeyGPCIVJKQSBSDDZ-UHFFFAOYSA-N
MW1836.70 g/mol
LogP12.31
Rot. Bonds20

About 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile

6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 158323271) has the molecular formula C84H83Cl4N43 and a molecular weight of 1836.70 g/mol. Its IUPAC name is 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID158323271
Molecular FormulaC84H83Cl4N43
Molecular Weight1836.70 g/mol
Exact Mass1833.66
IUPAC Name6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile
SMILESCc1ccc(N2CCC(Nc3nc(Nc4cc5ncc(C)n5cn4)ncc3Cl)CC2)nn1.Cc1cn2ncc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)cc2n1.Cc1nc2cc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)ccn2n1.Cc1nc2ccc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)cn2n1
InChIInChI=1S/3C21H20ClN11.C21H23ClN10/c1-13-25-18-4-3-16(12-33(18)31-13)27-21-24-11-17(22)20(28-21)26-14-6-8-32(9-7-14)19-5-2-15(10-23)29-30-19;1-13-25-19-10-15(6-9-33(19)31-13)27-21-24-12-17(22)20(28-21)26-14-4-7-32(8-5-14)18-3-2-16(11-23)29-30-18;1-13-12-33-19(26-13)8-16(10-25-33)28-21-24-11-17(22)20(29-21)27-14-4-6-32(7-5-14)18-3-2-15(9-23)30-31-18;1-13-3-4-18(30-29-13)31-7-5-15(6-8-31)26-20-16(22)11-24-21(28-20)27-17-9-19-23-10-14(2)32(19)12-25-17/h2-5,11-12,14H,6-9H2,1H3,(H2,24,26,27,28);2-3,6,9-10,12,14H,4-5,7-8H2,1H3,(H2,24,26,27,28);2-3,8,10-12,14H,4-7H2,1H3,(H2,24,27,28,29);3-4,9-12,15H,5-8H2,1-2H3,(H2,24,26,27,28)
InChIKeyGPCIVJKQSBSDDZ-UHFFFAOYSA-N
XLogP12.31
TPSA507.57 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001836.70
LogP ≤ 512.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile with MolForge

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Related Compounds

5-Chloranyl-4-Imidazo[1,2-A]pyridin-3-Yl-N-(3-Methyl-1-Piperidin-4-Yl-Pyrazol-4-Yl)pyrimidin-2-Amine
CID 122177112
5-Chloranyl-4-Imidazo[1,2-A]pyridin-3-Yl-N-(5-Methyl-1-Piperidin-4-Yl-Pyrazol-4-Yl)pyrimidin-2-Amine
CID 122177111
US9266891, III-36
CID 76070628
US9266891, III-37
CID 76070629
US9266891, III-20
CID 76072138
US9266891, III-31
CID 76072373
US10294229, Example 317
CID 124160182
US10294229, Example 239
CID 124160312
US10294229, Example 235
CID 124160374
US10294229, Example 224
CID 124160617
4-amino-6-[[(1S)-1-[3-chloro-6-[3-[6-[[(1R)-1-[3-chloro-6-[3-[6-[[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]-9H-purin-8-yl]phenyl]imidazo[1,2-b]pyridazin-7-yl]propyl]amino]-9H-purin-8-yl]-5-fluorophenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 138602694
6-[4-[[5-Chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile
CID 138620995

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile (CID 158323271) is 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile is Cc1ccc(N2CCC(Nc3nc(Nc4cc5ncc(C)n5cn4)ncc3Cl)CC2)nn1.Cc1cn2ncc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)cc2n1.Cc1nc2cc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)ccn2n1.Cc1nc2ccc(Nc3ncc(Cl)c(NC4CCN(c5ccc(C#N)nn5)CC4)n3)cn2n1.
What is the InChIKey of 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is GPCIVJKQSBSDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H20ClN11.C21H23ClN10/c1-13-25-18-4-3-16(12-33(18)31-13)27-21-24-11-17(22)20(28-21)26-14-6-8-32(9-7-14)19-5-2-15(10-23)29-30-19;1-13-25-19-10-15(6-9-33(19)31-13)27-21-24-12-17(22)20(28-21)26-14-4-7-32(8-5-14)18-3-2-16(11-23)29-30-18;1-13-12-33-19(26-13)8-16(10-25-33)28-21-24-11-17(22)20(29-21)27-14-4-6-32(7-5-14)18-3-2-15(9-23)30-31-18;1-13-3-4-18(30-29-13)31-7-5-15(6-8-31)26-20-16(22)11-24-21(28-20)27-17-9-19-23-10-14(2)32(19)12-25-17/h2-5,11-12,14H,6-9H2,1H3,(H2,24,26,27,28);2-3,6,9-10,12,14H,4-5,7-8H2,1H3,(H2,24,26,27,28);2-3,8,10-12,14H,4-7H2,1H3,(H2,24,27,28,29);3-4,9-12,15H,5-8H2,1-2H3,(H2,24,26,27,28).
What are the key properties of 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?
6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 1836.70 g/mol, XLogP of 12.31, 20 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-chloro-2-[(2-methylimidazo[1,2-b]pyridazin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;5-chloro-2-N-(3-methylimidazo[1,2-c]pyrimidin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile;6-[4-[[5-chloro-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 158323271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).