potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane

C110H133Cl5F3KN10O8SSi3 — CID 159654892

IUPACpotassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane
SMILESC.C[C@H]1CC[C@H](C)NC1.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1N.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(Cl)nc1Cl.[2H]CS.[H-].[K+]
InChIInChI=1S/C34H36Cl2FN3O3Si.C34H35ClFN3O3Si.C27H35NOSi.C7H15N.C6H3Cl2FN2O.CH4S.CH4.K.H/c1-21(2)26-18-23(17-22(3)29(26)38-33(42)40-32(41)27-19-28(37)31(36)39-30(27)35)20-43-44(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-21(2)26-18-23(17-22(3)29(26)39-31-27(32(40)38-33(39)41)19-28(36)30(35)37-31)20-42-43(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-20(2)25-18-22(17-21(3)26(25)28)19-29-30(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;1-6-3-4-7(2)8-5-6;7-4-2(6(10)12)1-3(9)5(8)11-4;1-2;;;/h7-19,21H,20H2,1-6H3,(H2,38,40,41,42);7-19,21H,20H2,1-6H3,(H,38,40,41);7-18,20H,19,28H2,1-6H3;6-8H,3-5H2,1-2H3;1H,(H2,10,12);2H,1H3;1H4;;/q;;;;;;;+1;-1/t;;;6-,7-;;;;;/m...0...../s1/i;;;;;1D;;;
InChIKeyGSKLSZHZZRRCGE-OMSJIKKUSA-N
MW2114.02 g/mol
LogP21.47
Rot. Bonds22

About potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane

potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane (PubChem CID 159654892) has the molecular formula C110H133Cl5F3KN10O8SSi3 and a molecular weight of 2114.02 g/mol. Its IUPAC name is potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane.

Molecular Properties

Compound Namepotassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane
PubChem CID159654892
Molecular FormulaC110H133Cl5F3KN10O8SSi3
Molecular Weight2114.02 g/mol
Exact Mass2109.74
IUPAC Namepotassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane
SMILESC.C[C@H]1CC[C@H](C)NC1.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1N.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(Cl)nc1Cl.[2H]CS.[H-].[K+]
InChIInChI=1S/C34H36Cl2FN3O3Si.C34H35ClFN3O3Si.C27H35NOSi.C7H15N.C6H3Cl2FN2O.CH4S.CH4.K.H/c1-21(2)26-18-23(17-22(3)29(26)38-33(42)40-32(41)27-19-28(37)31(36)39-30(27)35)20-43-44(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-21(2)26-18-23(17-22(3)29(26)39-31-27(32(40)38-33(39)41)19-28(36)30(35)37-31)20-42-43(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-20(2)25-18-22(17-21(3)26(25)28)19-29-30(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;1-6-3-4-7(2)8-5-6;7-4-2(6(10)12)1-3(9)5(8)11-4;1-2;;;/h7-19,21H,20H2,1-6H3,(H2,38,40,41,42);7-19,21H,20H2,1-6H3,(H,38,40,41);7-18,20H,19,28H2,1-6H3;6-8H,3-5H2,1-2H3;1H,(H2,10,12);2H,1H3;1H4;;/q;;;;;;;+1;-1/t;;;6-,7-;;;;;/m...0...../s1/i;;;;;1D;;;
InChIKeyGSKLSZHZZRRCGE-OMSJIKKUSA-N
XLogP21.47
TPSA260.56 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002114.02
LogP ≤ 521.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane?
The IUPAC name of potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane (CID 159654892) is potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane.
What is the SMILES notation for potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane?
The canonical SMILES for potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane is C.C[C@H]1CC[C@H](C)NC1.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1N.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(Cl)nc1Cl.[2H]CS.[H-].[K+].
What is the InChIKey of potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane?
The InChIKey is GSKLSZHZZRRCGE-OMSJIKKUSA-N. The full InChI is InChI=1S/C34H36Cl2FN3O3Si.C34H35ClFN3O3Si.C27H35NOSi.C7H15N.C6H3Cl2FN2O.CH4S.CH4.K.H/c1-21(2)26-18-23(17-22(3)29(26)38-33(42)40-32(41)27-19-28(37)31(36)39-30(27)35)20-43-44(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-21(2)26-18-23(17-22(3)29(26)39-31-27(32(40)38-33(39)41)19-28(36)30(35)37-31)20-42-43(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-20(2)25-18-22(17-21(3)26(25)28)19-29-30(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;1-6-3-4-7(2)8-5-6;7-4-2(6(10)12)1-3(9)5(8)11-4;1-2;;;/h7-19,21H,20H2,1-6H3,(H2,38,40,41,42);7-19,21H,20H2,1-6H3,(H,38,40,41);7-18,20H,19,28H2,1-6H3;6-8H,3-5H2,1-2H3;1H,(H2,10,12);2H,1H3;1H4;;/q;;;;;;;+1;-1/t;;;6-,7-;;;;;/m...0...../s1/i;;;;;1D;;;.
What are the key properties of potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane?
potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane has a molecular weight of 2114.02 g/mol, XLogP of 21.47, 22 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane is sourced from PubChem (CID 159654892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).