1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide

C125H163BCl13FN22O13Si3 — CID 157281827

IUPAC1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
SMILESCC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[C@@H]2C)c2cc(Cl)c(Cl)nc21.CCCc1ccnc(C(C)C)c1N.CCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.C[C@H]1CC[C@H](C)NC1.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=Cc1cccc(F)c1B(O)O
InChIInChI=1S/C30H43Cl2N5O2Si.C23H29Cl3N4O2Si.C23H30Cl2N4O3Si.C18H19Cl3N4O2.C11H18N2.C7H6BFO3.C7H15N.C6H3Cl3N2O/c1-18(2)24-25(21(12-14-33-24)13-15-39-40(8,9)30(5,6)7)37-28-22(16-23(31)26(32)34-28)27(35-29(37)38)36-17-19(3)10-11-20(36)4;1-13(2)17-18(14(8-10-27-17)9-11-32-33(6,7)23(3,4)5)30-21-15(19(25)29-22(30)31)12-16(24)20(26)28-21;1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(24)19(25)27-20;1-4-5-10-6-7-22-13(9(2)3)14(10)23-18(27)25-17(26)11-8-12(19)16(21)24-15(11)20;1-4-5-9-6-7-13-11(8(2)3)10(9)12;9-6-3-1-2-5(4-10)7(6)8(11)12;1-6-3-4-7(2)8-5-6;7-3-1-2(6(10)12)4(8)11-5(3)9/h12,14,16,18-20H,10-11,13,15,17H2,1-9H3;8,10,12-13H,9,11H2,1-7H3;8,10,12-13H,9,11H2,1-7H3,(H,28,30,31);6-9H,4-5H2,1-3H3,(H2,23,25,26,27);6-8H,4-5,12H2,1-3H3;1-4,11-12H;6-8H,3-5H2,1-2H3;1H,(H2,10,12)/t19-,20-;;;;;;6-,7-;/m0.....0./s1
InChIKeyAZTGNFREOFHWRU-XYDHOBCBSA-N
MW2756.78 g/mol
LogP31.15
Rot. Bonds30

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide (PubChem CID 157281827) has the molecular formula C125H163BCl13FN22O13Si3 and a molecular weight of 2756.78 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
PubChem CID157281827
Molecular FormulaC125H163BCl13FN22O13Si3
Molecular Weight2756.78 g/mol
Exact Mass2748.81
IUPAC Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
SMILESCC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[C@@H]2C)c2cc(Cl)c(Cl)nc21.CCCc1ccnc(C(C)C)c1N.CCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.C[C@H]1CC[C@H](C)NC1.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=Cc1cccc(F)c1B(O)O
InChIInChI=1S/C30H43Cl2N5O2Si.C23H29Cl3N4O2Si.C23H30Cl2N4O3Si.C18H19Cl3N4O2.C11H18N2.C7H6BFO3.C7H15N.C6H3Cl3N2O/c1-18(2)24-25(21(12-14-33-24)13-15-39-40(8,9)30(5,6)7)37-28-22(16-23(31)26(32)34-28)27(35-29(37)38)36-17-19(3)10-11-20(36)4;1-13(2)17-18(14(8-10-27-17)9-11-32-33(6,7)23(3,4)5)30-21-15(19(25)29-22(30)31)12-16(24)20(26)28-21;1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(24)19(25)27-20;1-4-5-10-6-7-22-13(9(2)3)14(10)23-18(27)25-17(26)11-8-12(19)16(21)24-15(11)20;1-4-5-9-6-7-13-11(8(2)3)10(9)12;9-6-3-1-2-5(4-10)7(6)8(11)12;1-6-3-4-7(2)8-5-6;7-3-1-2(6(10)12)4(8)11-5(3)9/h12,14,16,18-20H,10-11,13,15,17H2,1-9H3;8,10,12-13H,9,11H2,1-7H3;8,10,12-13H,9,11H2,1-7H3,(H,28,30,31);6-9H,4-5H2,1-3H3,(H2,23,25,26,27);6-8H,4-5,12H2,1-3H3;1-4,11-12H;6-8H,3-5H2,1-2H3;1H,(H2,10,12)/t19-,20-;;;;;;6-,7-;/m0.....0./s1
InChIKeyAZTGNFREOFHWRU-XYDHOBCBSA-N
XLogP31.15
TPSA481.34 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.78
LogP ≤ 531.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione
CID 156678377
N-[[5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;2,6-dichloro-5-fluoropyridine-3-carboxamide;5-pentyl-2-propan-2-ylpyridin-3-amine
CID 157591631
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoro-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;(2-chloro-6-fluorophenyl)boronic acid;2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;(2S)-2-methylpiperidine
CID 159916759
1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;N-[(4-butyl-2-propan-2-yl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-(4-butyl-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-[4-(3-hydroxypropyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;(2S)-2-methylpiperidine
CID 161322068
acetonitrile;N-[[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4,7-dichloro-6-fluoro-1-(4-pentyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 161447613
tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid
CID 164959575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide (CID 157281827) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide is CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21.CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[C@@H]2C)c2cc(Cl)c(Cl)nc21.CCCc1ccnc(C(C)C)c1N.CCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.C[C@H]1CC[C@H](C)NC1.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=Cc1cccc(F)c1B(O)O.
What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
The InChIKey is AZTGNFREOFHWRU-XYDHOBCBSA-N. The full InChI is InChI=1S/C30H43Cl2N5O2Si.C23H29Cl3N4O2Si.C23H30Cl2N4O3Si.C18H19Cl3N4O2.C11H18N2.C7H6BFO3.C7H15N.C6H3Cl3N2O/c1-18(2)24-25(21(12-14-33-24)13-15-39-40(8,9)30(5,6)7)37-28-22(16-23(31)26(32)34-28)27(35-29(37)38)36-17-19(3)10-11-20(36)4;1-13(2)17-18(14(8-10-27-17)9-11-32-33(6,7)23(3,4)5)30-21-15(19(25)29-22(30)31)12-16(24)20(26)28-21;1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(24)19(25)27-20;1-4-5-10-6-7-22-13(9(2)3)14(10)23-18(27)25-17(26)11-8-12(19)16(21)24-15(11)20;1-4-5-9-6-7-13-11(8(2)3)10(9)12;9-6-3-1-2-5(4-10)7(6)8(11)12;1-6-3-4-7(2)8-5-6;7-3-1-2(6(10)12)4(8)11-5(3)9/h12,14,16,18-20H,10-11,13,15,17H2,1-9H3;8,10,12-13H,9,11H2,1-7H3;8,10,12-13H,9,11H2,1-7H3,(H,28,30,31);6-9H,4-5H2,1-3H3,(H2,23,25,26,27);6-8H,4-5,12H2,1-3H3;1-4,11-12H;6-8H,3-5H2,1-2H3;1H,(H2,10,12)/t19-,20-;;;;;;6-,7-;/m0.....0./s1.
What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide?
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide has a molecular weight of 2756.78 g/mol, XLogP of 31.15, 30 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-4,6,7-trichloropyrido[2,3-d]pyrimidin-2-one;(2S,5S)-2,5-dimethylpiperidine;(2-fluoro-6-formylphenyl)boronic acid;2-propan-2-yl-4-propylpyridin-3-amine;2,5,6-trichloro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide is sourced from PubChem (CID 157281827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).