5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide

C112H134Cl4FN19O12S4 — CID 159962499

IUPAC5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide
SMILESCC(C)Oc1cc(C2CCN(C)CC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CC(C)Oc1cc(C2CCNCC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CCN1CCC(c2cnc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)c(OC(C)C)c2)CC1.CNC(=O)c1ccc(-c2ccc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)c(F)c2)cc1
InChIInChI=1S/C29H38ClN5O3S.C28H26ClFN4O3S.C28H36ClN5O3S.C27H34ClN5O3S/c1-6-35-13-11-21(12-14-35)22-15-26(38-19(2)3)29(32-17-22)34-28-16-25(23(30)18-31-28)33-24-9-7-8-10-27(24)39(36,37)20(4)5;1-17(2)38(36,37)26-7-5-4-6-24(26)33-25-15-27(32-16-21(25)29)34-23-13-12-20(14-22(23)30)18-8-10-19(11-9-18)28(35)31-3;1-18(2)37-25-14-21(20-10-12-34(5)13-11-20)16-31-28(25)33-27-15-24(22(29)17-30-27)32-23-8-6-7-9-26(23)38(35,36)19(3)4;1-17(2)36-24-13-20(19-9-11-29-12-10-19)15-31-27(24)33-26-14-23(21(28)16-30-26)32-22-7-5-6-8-25(22)37(34,35)18(3)4/h7-10,15-21H,6,11-14H2,1-5H3,(H2,31,32,33,34);4-17H,1-3H3,(H,31,35)(H2,32,33,34);6-9,14-20H,10-13H2,1-5H3,(H2,30,31,32,33);5-8,13-19,29H,9-12H2,1-4H3,(H2,30,31,32,33)
InChIKeyODMXCMDALVCQGU-UHFFFAOYSA-N
MW2227.50 g/mol
LogP25.81
Rot. Bonds36

About 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide

5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide (PubChem CID 159962499) has the molecular formula C112H134Cl4FN19O12S4 and a molecular weight of 2227.50 g/mol. Its IUPAC name is 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide
PubChem CID159962499
Molecular FormulaC112H134Cl4FN19O12S4
Molecular Weight2227.50 g/mol
Exact Mass2223.81
IUPAC Name5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide
SMILESCC(C)Oc1cc(C2CCN(C)CC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CC(C)Oc1cc(C2CCNCC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CCN1CCC(c2cnc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)c(OC(C)C)c2)CC1.CNC(=O)c1ccc(-c2ccc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)c(F)c2)cc1
InChIInChI=1S/C29H38ClN5O3S.C28H26ClFN4O3S.C28H36ClN5O3S.C27H34ClN5O3S/c1-6-35-13-11-21(12-14-35)22-15-26(38-19(2)3)29(32-17-22)34-28-16-25(23(30)18-31-28)33-24-9-7-8-10-27(24)39(36,37)20(4)5;1-17(2)38(36,37)26-7-5-4-6-24(26)33-25-15-27(32-16-21(25)29)34-23-13-12-20(14-22(23)30)18-8-10-19(11-9-18)28(35)31-3;1-18(2)37-25-14-21(20-10-12-34(5)13-11-20)16-31-28(25)33-27-15-24(22(29)17-30-27)32-23-8-6-7-9-26(23)38(35,36)19(3)4;1-17(2)36-24-13-20(19-9-11-29-12-10-19)15-31-27(24)33-26-14-23(21(28)16-30-26)32-22-7-5-6-8-25(22)37(34,35)18(3)4/h7-10,15-21H,6,11-14H2,1-5H3,(H2,31,32,33,34);4-17H,1-3H3,(H,31,35)(H2,32,33,34);6-9,14-20H,10-13H2,1-5H3,(H2,30,31,32,33);5-8,13-19,29H,9-12H2,1-4H3,(H2,30,31,32,33)
InChIKeyODMXCMDALVCQGU-UHFFFAOYSA-N
XLogP25.81
TPSA398.33 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.50
LogP ≤ 525.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide with MolForge

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Related Compounds

(4-amino-3-methoxyphenyl)-morpholin-4-ylmethanone;2-chloro-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyridin-4-amine;bis([3-methoxy-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]-morpholin-4-ylmethanone)
CID 158624037
1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-fluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 161356841
[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone;5-chloro-2-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[2-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]propyl-methylamino]ethanol
CID 157060252
5-chloro-2-N-[4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-methyl-2-[(4R)-4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-propan-2-yloxybenzamide;5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-methyl-2-[(4S)-4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-propan-2-yloxybenzamide
CID 157063040
4-[4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-morpholin-4-ylphenyl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(4-pyrrolidin-1-ylcyclohexyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157144667
5-chloro-2-N-(4-methyl-5-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(5-methyl-4-piperidin-3-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-methyl-2-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 157566821
5-chloro-2-N-[5-methyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 157589708
5-chloro-2-N-[4-[4-(dimethylamino)cyclohexyl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-yloxybenzamide
CID 157623942
3-chloro-N-[5-chloro-2-[4-[2-(4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[1-(3-methoxyphenyl)cyclopropyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 157677189
6-(2-Chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfonyl)-4-pyridinyl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfinylphenyl)methyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]methyl]-6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[(4-propan-2-ylsulfinylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157914881
6-[[5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-fluoro-2,3-dihydroisoindol-1-one;4-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-oxo-6-propan-2-yloxy-1H-isoindol-2-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-oxo-6-propan-2-yloxy-1H-isoindol-2-yl]piperidine-1-carboxamide
CID 157951193
2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N-cyclopropylbenzamide;[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone;5-chloro-2-N-[5-methyl-4-[(2S)-piperidin-2-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 158048124

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide?
The IUPAC name of 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide (CID 159962499) is 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide.
What is the SMILES notation for 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide?
The canonical SMILES for 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide is CC(C)Oc1cc(C2CCN(C)CC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CC(C)Oc1cc(C2CCNCC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CCN1CCC(c2cnc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)c(OC(C)C)c2)CC1.CNC(=O)c1ccc(-c2ccc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)c(F)c2)cc1.
What is the InChIKey of 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide?
The InChIKey is ODMXCMDALVCQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN5O3S.C28H26ClFN4O3S.C28H36ClN5O3S.C27H34ClN5O3S/c1-6-35-13-11-21(12-14-35)22-15-26(38-19(2)3)29(32-17-22)34-28-16-25(23(30)18-31-28)33-24-9-7-8-10-27(24)39(36,37)20(4)5;1-17(2)38(36,37)26-7-5-4-6-24(26)33-25-15-27(32-16-21(25)29)34-23-13-12-20(14-22(23)30)18-8-10-19(11-9-18)28(35)31-3;1-18(2)37-25-14-21(20-10-12-34(5)13-11-20)16-31-28(25)33-27-15-24(22(29)17-30-27)32-23-8-6-7-9-26(23)38(35,36)19(3)4;1-17(2)36-24-13-20(19-9-11-29-12-10-19)15-31-27(24)33-26-14-23(21(28)16-30-26)32-22-7-5-6-8-25(22)37(34,35)18(3)4/h7-10,15-21H,6,11-14H2,1-5H3,(H2,31,32,33,34);4-17H,1-3H3,(H,31,35)(H2,32,33,34);6-9,14-20H,10-13H2,1-5H3,(H2,30,31,32,33);5-8,13-19,29H,9-12H2,1-4H3,(H2,30,31,32,33).
What are the key properties of 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide?
5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide has a molecular weight of 2227.50 g/mol, XLogP of 25.81, 36 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide is sourced from PubChem (CID 159962499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).