5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

C196H199Cl5F11N69O16 — CID 159519588

IUPAC5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESCc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(N2CCNCC2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1ccnnc1-c1cc(Cl)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3cccnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(N3CCCN3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ccn[nH]3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(N3CCCCN3)c2)cn1
InChIInChI=1S/C26H24ClFN8O2.C25H29ClFN9O2.C25H23ClFN9O2.C25H22ClFN8O2.C25H26F4N8O2.C24H28FN9O2.C23H25ClFN9O2.C23H22FN9O2/c1-16-11-18(17-3-2-6-29-13-17)12-20(27)23(16)32-19-4-5-22(30-14-19)25(37)34-35-26-31-15-21(28)24(33-26)36-7-9-38-10-8-36;1-16-12-18(35-6-4-28-5-7-35)13-19(26)22(16)31-17-2-3-21(29-14-17)24(37)33-34-25-30-15-20(27)23(32-25)36-8-10-38-11-9-36;1-15-4-5-30-33-22(15)16-10-17(26)12-19(11-16)31-18-2-3-21(28-13-18)24(37)34-35-25-29-14-20(27)23(32-25)36-6-8-38-9-7-36;26-18-10-17(16-2-1-5-28-13-16)11-20(12-18)31-19-3-4-22(29-14-19)24(36)33-34-25-30-15-21(27)23(32-25)35-6-8-37-9-7-35;26-20-15-31-24(33-22(20)37-7-9-39-10-8-37)35-34-23(38)21-4-3-17(14-30-21)32-18-11-16(25(27,28)29)12-19(13-18)36-5-1-2-6-36;25-20-16-27-24(30-22(20)33-10-12-36-13-11-33)32-31-23(35)21-7-6-18(15-26-21)29-17-4-3-5-19(14-17)34-9-2-1-8-28-34;24-15-10-17(12-18(11-15)34-5-1-4-28-34)29-16-2-3-20(26-13-16)22(35)31-32-23-27-14-19(25)21(30-23)33-6-8-36-9-7-33;24-18-14-26-23(29-21(18)33-9-11-35-12-10-33)32-31-22(34)20-6-5-17(13-25-20)28-16-3-1-15(2-4-16)19-7-8-27-30-19/h2-6,11-15,32H,7-10H2,1H3,(H,34,37)(H,31,33,35);2-3,12-15,28,31H,4-11H2,1H3,(H,33,37)(H,30,32,34);2-5,10-14,31H,6-9H2,1H3,(H,34,37)(H,29,32,35);1-5,10-15,31H,6-9H2,(H,33,36)(H,30,32,34);3-4,11-15,32H,1-2,5-10H2,(H,34,38)(H,31,33,35);3-7,14-16,28-29H,1-2,8-13H2,(H,31,35)(H,27,30,32);2-3,10-14,28-29H,1,4-9H2,(H,31,35)(H,27,30,32);1-8,13-14,28H,9-12H2,(H,27,30)(H,31,34)(H,26,29,32)
InChIKeyMBQDRRYCSYTHHB-UHFFFAOYSA-N
MW4163.46 g/mol
LogP26.79
Rot. Bonds56

About 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 159519588) has the molecular formula C196H199Cl5F11N69O16 and a molecular weight of 4163.46 g/mol. Its IUPAC name is 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
PubChem CID159519588
Molecular FormulaC196H199Cl5F11N69O16
Molecular Weight4163.46 g/mol
Exact Mass4158.51
IUPAC Name5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESCc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(N2CCNCC2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1ccnnc1-c1cc(Cl)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3cccnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(N3CCCN3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ccn[nH]3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(N3CCCCN3)c2)cn1
InChIInChI=1S/C26H24ClFN8O2.C25H29ClFN9O2.C25H23ClFN9O2.C25H22ClFN8O2.C25H26F4N8O2.C24H28FN9O2.C23H25ClFN9O2.C23H22FN9O2/c1-16-11-18(17-3-2-6-29-13-17)12-20(27)23(16)32-19-4-5-22(30-14-19)25(37)34-35-26-31-15-21(28)24(33-26)36-7-9-38-10-8-36;1-16-12-18(35-6-4-28-5-7-35)13-19(26)22(16)31-17-2-3-21(29-14-17)24(37)33-34-25-30-15-20(27)23(32-25)36-8-10-38-11-9-36;1-15-4-5-30-33-22(15)16-10-17(26)12-19(11-16)31-18-2-3-21(28-13-18)24(37)34-35-25-29-14-20(27)23(32-25)36-6-8-38-9-7-36;26-18-10-17(16-2-1-5-28-13-16)11-20(12-18)31-19-3-4-22(29-14-19)24(36)33-34-25-30-15-21(27)23(32-25)35-6-8-37-9-7-35;26-20-15-31-24(33-22(20)37-7-9-39-10-8-37)35-34-23(38)21-4-3-17(14-30-21)32-18-11-16(25(27,28)29)12-19(13-18)36-5-1-2-6-36;25-20-16-27-24(30-22(20)33-10-12-36-13-11-33)32-31-23(35)21-7-6-18(15-26-21)29-17-4-3-5-19(14-17)34-9-2-1-8-28-34;24-15-10-17(12-18(11-15)34-5-1-4-28-34)29-16-2-3-20(26-13-16)22(35)31-32-23-27-14-19(25)21(30-23)33-6-8-36-9-7-33;24-18-14-26-23(29-21(18)33-9-11-35-12-10-33)32-31-22(34)20-6-5-17(13-25-20)28-16-3-1-15(2-4-16)19-7-8-27-30-19/h2-6,11-15,32H,7-10H2,1H3,(H,34,37)(H,31,33,35);2-3,12-15,28,31H,4-11H2,1H3,(H,33,37)(H,30,32,34);2-5,10-14,31H,6-9H2,1H3,(H,34,37)(H,29,32,35);1-5,10-15,31H,6-9H2,(H,33,36)(H,30,32,34);3-4,11-15,32H,1-2,5-10H2,(H,34,38)(H,31,33,35);3-7,14-16,28-29H,1-2,8-13H2,(H,31,35)(H,27,30,32);2-3,10-14,28-29H,1,4-9H2,(H,31,35)(H,27,30,32);1-8,13-14,28H,9-12H2,(H,27,30)(H,31,34)(H,26,29,32)
InChIKeyMBQDRRYCSYTHHB-UHFFFAOYSA-N
XLogP26.79
TPSA963.69 Ų
H-Bond Donors28
H-Bond Acceptors76
Rotatable Bonds56
Heavy Atoms297
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004163.46
LogP ≤ 526.79
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1076

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 159519588) is 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is Cc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1cc(N2CCNCC2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1ccnnc1-c1cc(Cl)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3cccnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(N3CCCN3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ccn[nH]3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(N3CCCCN3)c2)cn1.
What is the InChIKey of 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is MBQDRRYCSYTHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN8O2.C25H29ClFN9O2.C25H23ClFN9O2.C25H22ClFN8O2.C25H26F4N8O2.C24H28FN9O2.C23H25ClFN9O2.C23H22FN9O2/c1-16-11-18(17-3-2-6-29-13-17)12-20(27)23(16)32-19-4-5-22(30-14-19)25(37)34-35-26-31-15-21(28)24(33-26)36-7-9-38-10-8-36;1-16-12-18(35-6-4-28-5-7-35)13-19(26)22(16)31-17-2-3-21(29-14-17)24(37)33-34-25-30-15-20(27)23(32-25)36-8-10-38-11-9-36;1-15-4-5-30-33-22(15)16-10-17(26)12-19(11-16)31-18-2-3-21(28-13-18)24(37)34-35-25-29-14-20(27)23(32-25)36-6-8-38-9-7-36;26-18-10-17(16-2-1-5-28-13-16)11-20(12-18)31-19-3-4-22(29-14-19)24(36)33-34-25-30-15-21(27)23(32-25)35-6-8-37-9-7-35;26-20-15-31-24(33-22(20)37-7-9-39-10-8-37)35-34-23(38)21-4-3-17(14-30-21)32-18-11-16(25(27,28)29)12-19(13-18)36-5-1-2-6-36;25-20-16-27-24(30-22(20)33-10-12-36-13-11-33)32-31-23(35)21-7-6-18(15-26-21)29-17-4-3-5-19(14-17)34-9-2-1-8-28-34;24-15-10-17(12-18(11-15)34-5-1-4-28-34)29-16-2-3-20(26-13-16)22(35)31-32-23-27-14-19(25)21(30-23)33-6-8-36-9-7-33;24-18-14-26-23(29-21(18)33-9-11-35-12-10-33)32-31-22(34)20-6-5-17(13-25-20)28-16-3-1-15(2-4-16)19-7-8-27-30-19/h2-6,11-15,32H,7-10H2,1H3,(H,34,37)(H,31,33,35);2-3,12-15,28,31H,4-11H2,1H3,(H,33,37)(H,30,32,34);2-5,10-14,31H,6-9H2,1H3,(H,34,37)(H,29,32,35);1-5,10-15,31H,6-9H2,(H,33,36)(H,30,32,34);3-4,11-15,32H,1-2,5-10H2,(H,34,38)(H,31,33,35);3-7,14-16,28-29H,1-2,8-13H2,(H,31,35)(H,27,30,32);2-3,10-14,28-29H,1,4-9H2,(H,31,35)(H,27,30,32);1-8,13-14,28H,9-12H2,(H,27,30)(H,31,34)(H,26,29,32).
What are the key properties of 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 4163.46 g/mol, XLogP of 26.79, 56 rotatable bonds, 28 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrazolidin-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(diazinan-1-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 159519588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).