dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate

C104H115Cl4FK2N26O10 — CID 159219572

IUPACdipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate
SMILESC.C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC1.CNC(=O)c1c[nH]c2ccccc12.CNC(=O)c1cn(-c2ccnc(Cl)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2ccccc12.Clc1ccnc(Cl)n1.O=C(Cl)c1c[nH]c2ccccc12.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/2C24H25N7O.C15H23N3O2.C14H11ClN4O.C10H10N2O.C9H6ClNO.C4H2Cl2N2.CH3F.CH2O3.2CH4.2K.H/c2*1-25-23(32)20-16-31(21-5-3-2-4-19(20)21)22-10-11-27-24(29-22)28-17-6-8-18(9-7-17)30-14-12-26-13-15-30;1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;1-16-13(20)10-8-19(11-5-3-2-4-9(10)11)12-6-7-17-14(15)18-12;1-11-10(13)8-6-12-9-5-3-2-4-7(8)9;10-9(12)7-5-11-8-4-2-1-3-6(7)8;5-3-1-2-7-4(6)8-3;1-2;2-1-4-3;;;;;/h2*2-11,16,26H,12-15H2,1H3,(H,25,32)(H,27,28,29);4-7H,8-11,16H2,1-3H3;2-8H,1H3,(H,16,20);2-6,12H,1H3,(H,11,13);1-5,11H;1-2H;1H3;1,3H;2*1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;1D;;;;;;
InChIKeyFARIHDNMSLYWBZ-AGKZLUNBSA-M
MW2129.25 g/mol
LogP10.90
Rot. Bonds16

About dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate

dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate (PubChem CID 159219572) has the molecular formula C104H115Cl4FK2N26O10 and a molecular weight of 2129.25 g/mol. Its IUPAC name is dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate.

Molecular Properties

Compound Namedipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate
PubChem CID159219572
Molecular FormulaC104H115Cl4FK2N26O10
Molecular Weight2129.25 g/mol
Exact Mass2125.74
IUPAC Namedipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate
SMILESC.C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC1.CNC(=O)c1c[nH]c2ccccc12.CNC(=O)c1cn(-c2ccnc(Cl)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2ccccc12.Clc1ccnc(Cl)n1.O=C(Cl)c1c[nH]c2ccccc12.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/2C24H25N7O.C15H23N3O2.C14H11ClN4O.C10H10N2O.C9H6ClNO.C4H2Cl2N2.CH3F.CH2O3.2CH4.2K.H/c2*1-25-23(32)20-16-31(21-5-3-2-4-19(20)21)22-10-11-27-24(29-22)28-17-6-8-18(9-7-17)30-14-12-26-13-15-30;1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;1-16-13(20)10-8-19(11-5-3-2-4-9(10)11)12-6-7-17-14(15)18-12;1-11-10(13)8-6-12-9-5-3-2-4-7(8)9;10-9(12)7-5-11-8-4-2-1-3-6(7)8;5-3-1-2-7-4(6)8-3;1-2;2-1-4-3;;;;;/h2*2-11,16,26H,12-15H2,1H3,(H,25,32)(H,27,28,29);4-7H,8-11,16H2,1-3H3;2-8H,1H3,(H,16,20);2-6,12H,1H3,(H,11,13);1-5,11H;1-2H;1H3;1,3H;2*1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;1D;;;;;;
InChIKeyFARIHDNMSLYWBZ-AGKZLUNBSA-M
XLogP10.90
TPSA445.72 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002129.25
LogP ≤ 510.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate?
The IUPAC name of dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate (CID 159219572) is dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate.
What is the SMILES notation for dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate?
The canonical SMILES for dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate is C.C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC1.CNC(=O)c1c[nH]c2ccccc12.CNC(=O)c1cn(-c2ccnc(Cl)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2ccccc12.CNC(=O)c1cn(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2ccccc12.Clc1ccnc(Cl)n1.O=C(Cl)c1c[nH]c2ccccc12.O=CO[O-].[2H]CF.[H-].[K+].[K+].
What is the InChIKey of dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate?
The InChIKey is FARIHDNMSLYWBZ-AGKZLUNBSA-M. The full InChI is InChI=1S/2C24H25N7O.C15H23N3O2.C14H11ClN4O.C10H10N2O.C9H6ClNO.C4H2Cl2N2.CH3F.CH2O3.2CH4.2K.H/c2*1-25-23(32)20-16-31(21-5-3-2-4-19(20)21)22-10-11-27-24(29-22)28-17-6-8-18(9-7-17)30-14-12-26-13-15-30;1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;1-16-13(20)10-8-19(11-5-3-2-4-9(10)11)12-6-7-17-14(15)18-12;1-11-10(13)8-6-12-9-5-3-2-4-7(8)9;10-9(12)7-5-11-8-4-2-1-3-6(7)8;5-3-1-2-7-4(6)8-3;1-2;2-1-4-3;;;;;/h2*2-11,16,26H,12-15H2,1H3,(H,25,32)(H,27,28,29);4-7H,8-11,16H2,1-3H3;2-8H,1H3,(H,16,20);2-6,12H,1H3,(H,11,13);1-5,11H;1-2H;1H3;1,3H;2*1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;1D;;;;;;.
What are the key properties of dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate?
dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate has a molecular weight of 2129.25 g/mol, XLogP of 10.90, 16 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)-N-methylindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloropyrimidine;hydride;1H-indole-3-carbonyl chloride;methane;N-methyl-1H-indole-3-carboxamide;bis(N-methyl-1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide);oxido formate is sourced from PubChem (CID 159219572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).