dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate

C102H117Cl5K2N32O9 — CID 157226215

About dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate

dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate (PubChem CID 157226215) has the molecular formula C102H117Cl5K2N32O9 and a molecular weight of 2190.73 g/mol. Its IUPAC name is dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate
• PubChem CID: 157226215
• Molecular Formula: C102H117Cl5K2N32O9
• Molecular Weight: 2190.73 g/mol
• Exact Mass: 2186.74
• IUPAC Name: dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate
• SMILES: CC(=O)N1CCC(c2cc(OC3CC3)c(N)cc2C)CC1.CC(=O)N1CCC(c2cc(OC3CC3)c(Nc3ncc(Cl)c(Nc4cn(C)nc4C#N)n3)cc2C)CC1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)c(OC2CC2)cc1C1CCN(C)CC1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)c(OC2CC2)cc1C1CCNCC1.Cn1cc(Nc2nc(Cl)ncc2Cl)c(C#N)n1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C26H29ClN8O2.C25H29ClN8O.C24H27ClN8O.C17H24N2O2.C9H6Cl2N6.CH2O3.2K.H/c1-15-10-21(24(37-18-4-5-18)11-19(15)17-6-8-35(9-7-17)16(2)36)31-26-29-13-20(27)25(32-26)30-23-14-34(3)33-22(23)12-28;1-15-10-20(23(35-17-4-5-17)11-18(15)16-6-8-33(2)9-7-16)30-25-28-13-19(26)24(31-25)29-22-14-34(3)32-21(22)12-27;1-14-9-19(22(34-16-3-4-16)10-17(14)15-5-7-27-8-6-15)30-24-28-12-18(25)23(31-24)29-21-13-33(2)32-20(21)11-26;1-11-9-16(18)17(21-14-3-4-14)10-15(11)13-5-7-19(8-6-13)12(2)20;1-17-4-7(6(2-12)16-17)14-8-5(10)3-13-9(11)15-8;2-1-4-3;;;/h10-11,13-14,17-18H,4-9H2,1-3H3,(H2,29,30,31,32);10-11,13-14,16-17H,4-9H2,1-3H3,(H2,28,29,30,31);9-10,12-13,15-16,27H,3-8H2,1-2H3,(H2,28,29,30,31);9-10,13-14H,3-8,18H2,1-2H3;3-4H,1H3,(H,13,14,15);1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: ZWWNPNDSUYRBPD-UHFFFAOYSA-M
• XLogP: 11.75
• TPSA: 521.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2190.73
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate?

The IUPAC name of dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate (CID 157226215) is dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate.

What is the SMILES notation for dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate?

The canonical SMILES for dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate is CC(=O)N1CCC(c2cc(OC3CC3)c(N)cc2C)CC1.CC(=O)N1CCC(c2cc(OC3CC3)c(Nc3ncc(Cl)c(Nc4cn(C)nc4C#N)n3)cc2C)CC1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)c(OC2CC2)cc1C1CCN(C)CC1.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)c(OC2CC2)cc1C1CCNCC1.Cn1cc(Nc2nc(Cl)ncc2Cl)c(C#N)n1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate?

The InChIKey is ZWWNPNDSUYRBPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H29ClN8O2.C25H29ClN8O.C24H27ClN8O.C17H24N2O2.C9H6Cl2N6.CH2O3.2K.H/c1-15-10-21(24(37-18-4-5-18)11-19(15)17-6-8-35(9-7-17)16(2)36)31-26-29-13-20(27)25(32-26)30-23-14-34(3)33-22(23)12-28;1-15-10-20(23(35-17-4-5-17)11-18(15)16-6-8-33(2)9-7-16)30-25-28-13-19(26)24(31-25)29-22-14-34(3)32-21(22)12-27;1-14-9-19(22(34-16-3-4-16)10-17(14)15-5-7-27-8-6-15)30-24-28-12-18(25)23(31-24)29-21-13-33(2)32-20(21)11-26;1-11-9-16(18)17(21-14-3-4-14)10-15(11)13-5-7-19(8-6-13)12(2)20;1-17-4-7(6(2-12)16-17)14-8-5(10)3-13-9(11)15-8;2-1-4-3;;;/h10-11,13-14,17-18H,4-9H2,1-3H3,(H2,29,30,31,32);10-11,13-14,16-17H,4-9H2,1-3H3,(H2,28,29,30,31);9-10,12-13,15-16,27H,3-8H2,1-2H3,(H2,28,29,30,31);9-10,13-14H,3-8,18H2,1-2H3;3-4H,1H3,(H,13,14,15);1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate?

dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate has a molecular weight of 2190.73 g/mol, XLogP of 11.75, 27 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[[2-[4-(1-acetylpiperidin-4-yl)-2-cyclopropyloxy-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;1-[4-(4-amino-5-cyclopropyloxy-2-methylphenyl)piperidin-1-yl]ethanone;4-[[5-chloro-2-[2-cyclopropyloxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[[5-chloro-2-(2-cyclopropyloxy-5-methyl-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]-1-methylpyrazole-3-carbonitrile;4-[(2,5-dichloropyrimidin-4-yl)amino]-1-methylpyrazole-3-carbonitrile;hydride;oxido formate is sourced from PubChem (CID 157226215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).