5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine

C112H152Cl4N28O14S4 — CID 160921865

IUPAC5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOC1CN(C)CCC1c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C.COC1CN(C)CCC1c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)cc1C.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCCN(C)C1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1
InChIInChI=1S/C29H40ClN7O4S.C28H38ClN7O4S.C28H38ClN7O3S.C27H36ClN7O3S/c1-17(2)16-42(38,39)28-24(14-37(5)35-28)32-27-22(30)13-31-29(34-27)33-23-11-18(3)21(12-25(23)41-19-7-8-19)20-9-10-36(4)15-26(20)40-6;1-16(2)41(37,38)27-23(14-36(5)34-27)31-26-21(29)13-30-28(33-26)32-22-11-17(3)20(12-24(22)40-18-7-8-18)19-9-10-35(4)15-25(19)39-6;1-17(2)16-40(37,38)27-24(15-36(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-18(3)21(13-25(23)39-20-6-7-20)19-8-10-35(4)11-9-19;1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)13-29-27(32-25)31-22-11-17(3)20(12-24(22)38-19-8-9-19)18-7-6-10-34(4)14-18/h11-14,17,19-20,26H,7-10,15-16H2,1-6H3,(H2,31,32,33,34);11-14,16,18-19,25H,7-10,15H2,1-6H3,(H2,30,31,32,33);12-15,17,19-20H,6-11,16H2,1-5H3,(H2,30,31,32,33);11-13,15-16,18-19H,6-10,14H2,1-5H3,(H2,29,30,31,32)
InChIKeySSDFVABGXOFHPR-UHFFFAOYSA-N
MW2384.71 g/mol
LogP20.51
Rot. Bonds40

About 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 160921865) has the molecular formula C112H152Cl4N28O14S4 and a molecular weight of 2384.71 g/mol. Its IUPAC name is 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID160921865
Molecular FormulaC112H152Cl4N28O14S4
Molecular Weight2384.71 g/mol
Exact Mass2380.97
IUPAC Name5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOC1CN(C)CCC1c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C.COC1CN(C)CCC1c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)cc1C.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCCN(C)C1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1
InChIInChI=1S/C29H40ClN7O4S.C28H38ClN7O4S.C28H38ClN7O3S.C27H36ClN7O3S/c1-17(2)16-42(38,39)28-24(14-37(5)35-28)32-27-22(30)13-31-29(34-27)33-23-11-18(3)21(12-25(23)41-19-7-8-19)20-9-10-36(4)15-26(20)40-6;1-16(2)41(37,38)27-23(14-36(5)34-27)31-26-21(29)13-30-28(33-26)32-22-11-17(3)20(12-24(22)40-18-7-8-18)19-9-10-35(4)15-25(19)39-6;1-17(2)16-40(37,38)27-24(15-36(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-18(3)21(13-25(23)39-20-6-7-20)19-8-10-35(4)11-9-19;1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)13-29-27(32-25)31-22-11-17(3)20(12-24(22)38-19-8-9-19)18-7-6-10-34(4)14-18/h11-14,17,19-20,26H,7-10,15-16H2,1-6H3,(H2,31,32,33,34);11-14,16,18-19,25H,7-10,15H2,1-6H3,(H2,30,31,32,33);12-15,17,19-20H,6-11,16H2,1-5H3,(H2,30,31,32,33);11-13,15-16,18-19H,6-10,14H2,1-5H3,(H2,29,30,31,32)
InChIKeySSDFVABGXOFHPR-UHFFFAOYSA-N
XLogP20.51
TPSA475.54 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.71
LogP ≤ 520.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]-2-N-[5-methyl-4-(1-methylsulfonylazetidin-3-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(1-methylsulfonylazetidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 157127244
5-chloro-2-N-[2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 118549988
5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxypiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 126747200
5-chloro-2-N-[2-(cyclopropylmethoxy)-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 122185895
2-[4-[4-[[5-chloro-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclobutyloxy-2-methylphenyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 118549546
5-chloro-2-N-[2-cyclopropyloxy-4-[4-(dimethylamino)cyclohexyl]-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 118549508
5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-2-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 118549571
5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-[4-[2-(methylamino)ethylamino]cyclohexyl]phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 126747256
5-chloro-2-N-[2-cyclopropyloxy-4-(1-ethylpiperidin-2-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 151416870
N-[4-[4-[[5-chloro-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]cyclohexyl]cyclopropanecarboxamide
CID 118549544
5-chloro-2-N-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-(dimethylamino)acetic acid
CID 159245600
5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(1,3-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 118549905

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 160921865) is 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine is COC1CN(C)CCC1c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C.COC1CN(C)CCC1c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)cc1C.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCCN(C)C1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1.
What is the InChIKey of 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is SSDFVABGXOFHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClN7O4S.C28H38ClN7O4S.C28H38ClN7O3S.C27H36ClN7O3S/c1-17(2)16-42(38,39)28-24(14-37(5)35-28)32-27-22(30)13-31-29(34-27)33-23-11-18(3)21(12-25(23)41-19-7-8-19)20-9-10-36(4)15-26(20)40-6;1-16(2)41(37,38)27-23(14-36(5)34-27)31-26-21(29)13-30-28(33-26)32-22-11-17(3)20(12-24(22)40-18-7-8-18)19-9-10-35(4)15-25(19)39-6;1-17(2)16-40(37,38)27-24(15-36(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-18(3)21(13-25(23)39-20-6-7-20)19-8-10-35(4)11-9-19;1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)13-29-27(32-25)31-22-11-17(3)20(12-24(22)38-19-8-9-19)18-7-6-10-34(4)14-18/h11-14,17,19-20,26H,7-10,15-16H2,1-6H3,(H2,31,32,33,34);11-14,16,18-19,25H,7-10,15H2,1-6H3,(H2,30,31,32,33);12-15,17,19-20H,6-11,16H2,1-5H3,(H2,30,31,32,33);11-13,15-16,18-19H,6-10,14H2,1-5H3,(H2,29,30,31,32).
What are the key properties of 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 2384.71 g/mol, XLogP of 20.51, 40 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-methoxy-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-[1-methyl-3-(2-methylpropylsulfonyl)pyrazol-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 160921865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).