dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate

C113H145Br2ClK2N30O18S4 — CID 160607072

About dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate

dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate (PubChem CID 160607072) has the molecular formula C113H145Br2ClK2N30O18S4 and a molecular weight of 2613.32 g/mol. Its IUPAC name is dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate
• PubChem CID: 160607072
• Molecular Formula: C113H145Br2ClK2N30O18S4
• Molecular Weight: 2613.32 g/mol
• Exact Mass: 2608.76
• IUPAC Name: dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate
• SMILES: CC(=O)N1CCC(c2cc(OC3CC3)c(N)cc2C)CC1.CC(=O)N1CCC(c2cc(OC3CC3)c(Nc3ncc(Br)c(Nc4cn(C)nc4S(=O)(=O)C(C)C)n3)cc2C)CC1.CC(=O)N1CCC(c2cc(OC3CC3)c(Nc3ncc(C#N)c(Nc4cn(C)nc4S(=O)(=O)C(C)C)n3)cc2C)CC1.CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Cl)ncc1Br.Cc1cc(Nc2ncc(C#N)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCNCC1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C29H36N8O4S.C28H36BrN7O4S.C27H34N8O3S.C17H24N2O2.C11H13BrClN5O2S.CH2O3.2K.H/c1-17(2)42(39,40)28-25(16-36(5)35-28)32-27-21(14-30)15-31-29(34-27)33-24-12-18(3)23(13-26(24)41-22-6-7-22)20-8-10-37(11-9-20)19(4)38;1-16(2)41(38,39)27-24(15-35(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-17(3)21(13-25(23)40-20-6-7-20)19-8-10-36(11-9-19)18(4)37;1-16(2)39(36,37)26-23(15-35(4)34-26)31-25-19(13-28)14-30-27(33-25)32-22-11-17(3)21(18-7-9-29-10-8-18)12-24(22)38-20-5-6-20;1-11-9-16(18)17(21-14-3-4-14)10-15(11)13-5-7-19(8-6-13)12(2)20;1-6(2)21(19,20)10-8(5-18(3)17-10)15-9-7(12)4-14-11(13)16-9;2-1-4-3;;;/h12-13,15-17,20,22H,6-11H2,1-5H3,(H2,31,32,33,34);12-16,19-20H,6-11H2,1-5H3,(H2,30,31,32,33);11-12,14-16,18,20,29H,5-10H2,1-4H3,(H2,30,31,32,33);9-10,13-14H,3-8,18H2,1-2H3;4-6H,1-3H3,(H,14,15,16);1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: OGWPYACPAUKROB-UHFFFAOYSA-M
• XLogP: 11.56
• TPSA: 628.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.32
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate?

The IUPAC name of dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate (CID 160607072) is dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate.

What is the SMILES notation for dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate?

The canonical SMILES for dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate is CC(=O)N1CCC(c2cc(OC3CC3)c(N)cc2C)CC1.CC(=O)N1CCC(c2cc(OC3CC3)c(Nc3ncc(Br)c(Nc4cn(C)nc4S(=O)(=O)C(C)C)n3)cc2C)CC1.CC(=O)N1CCC(c2cc(OC3CC3)c(Nc3ncc(C#N)c(Nc4cn(C)nc4S(=O)(=O)C(C)C)n3)cc2C)CC1.CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Cl)ncc1Br.Cc1cc(Nc2ncc(C#N)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCNCC1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate?

The InChIKey is OGWPYACPAUKROB-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H36N8O4S.C28H36BrN7O4S.C27H34N8O3S.C17H24N2O2.C11H13BrClN5O2S.CH2O3.2K.H/c1-17(2)42(39,40)28-25(16-36(5)35-28)32-27-21(14-30)15-31-29(34-27)33-24-12-18(3)23(13-26(24)41-22-6-7-22)20-8-10-37(11-9-20)19(4)38;1-16(2)41(38,39)27-24(15-35(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-17(3)21(13-25(23)40-20-6-7-20)19-8-10-36(11-9-19)18(4)37;1-16(2)39(36,37)26-23(15-35(4)34-26)31-25-19(13-28)14-30-27(33-25)32-22-11-17(3)21(18-7-9-29-10-8-18)12-24(22)38-20-5-6-20;1-11-9-16(18)17(21-14-3-4-14)10-15(11)13-5-7-19(8-6-13)12(2)20;1-6(2)21(19,20)10-8(5-18(3)17-10)15-9-7(12)4-14-11(13)16-9;2-1-4-3;;;/h12-13,15-17,20,22H,6-11H2,1-5H3,(H2,31,32,33,34);12-16,19-20H,6-11H2,1-5H3,(H2,30,31,32,33);11-12,14-16,18,20,29H,5-10H2,1-4H3,(H2,30,31,32,33);9-10,13-14H,3-8,18H2,1-2H3;4-6H,1-3H3,(H,14,15,16);1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate?

dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate has a molecular weight of 2613.32 g/mol, XLogP of 11.56, 35 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;5-bromo-2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidin-4-amine;1-[4-[4-[[5-bromo-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-5-cyclopropyloxy-2-methylphenyl]piperidin-1-yl]ethanone;2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)-4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;hydride;oxido formate is sourced from PubChem (CID 160607072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).