2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C117H122Cl5N23O13 — CID 159663886

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4ccc5ncnc(N6CCOCC6)c5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(-n5ccccc5=O)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-n5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-n5cccc5)nc4)(C2)C3)ccc1Cl
InChIInChI=1S/C26H28ClN5O3.C24H23ClN4O3.C23H27ClN4O3.2C22H22ClN5O2/c1-17-10-19(3-4-21(17)27)35-12-23(33)31-26-13-25(14-26,15-26)30-18-2-5-22-20(11-18)24(29-16-28-22)32-6-8-34-9-7-32;1-16-11-17(8-9-18(16)25)32-12-21(30)28-24-13-23(14-24,15-24)27-19-5-4-6-20(26-19)29-10-3-2-7-22(29)31;1-16-11-17(5-6-18(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-19-3-2-4-20(25-19)28-7-9-30-10-8-28;1-15-8-17(2-3-18(15)23)30-10-20(29)27-22-11-21(12-22,13-22)26-16-4-5-25-19(9-16)28-7-6-24-14-28;1-15-8-17(4-5-18(15)23)30-11-19(29)27-22-12-21(13-22,14-22)26-16-9-24-20(25-10-16)28-6-2-3-7-28/h2-5,10-11,16,30H,6-9,12-15H2,1H3,(H,31,33);2-11H,12-15H2,1H3,(H,26,27)(H,28,30);2-6,11H,7-10,12-15H2,1H3,(H,25,26)(H,27,29);2-9,14H,10-13H2,1H3,(H,25,26)(H,27,29);2-10,26H,11-14H2,1H3,(H,27,29)
InChIKeyMTDSCBBABKFOSF-UHFFFAOYSA-N
MW2235.68 g/mol
LogP17.37
Rot. Bonds35

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 159663886) has the molecular formula C117H122Cl5N23O13 and a molecular weight of 2235.68 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID159663886
Molecular FormulaC117H122Cl5N23O13
Molecular Weight2235.68 g/mol
Exact Mass2231.80
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4ccc5ncnc(N6CCOCC6)c5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(-n5ccccc5=O)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-n5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-n5cccc5)nc4)(C2)C3)ccc1Cl
InChIInChI=1S/C26H28ClN5O3.C24H23ClN4O3.C23H27ClN4O3.2C22H22ClN5O2/c1-17-10-19(3-4-21(17)27)35-12-23(33)31-26-13-25(14-26,15-26)30-18-2-5-22-20(11-18)24(29-16-28-22)32-6-8-34-9-7-32;1-16-11-17(8-9-18(16)25)32-12-21(30)28-24-13-23(14-24,15-24)27-19-5-4-6-20(26-19)29-10-3-2-7-22(29)31;1-16-11-17(5-6-18(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-19-3-2-4-20(25-19)28-7-9-30-10-8-28;1-15-8-17(2-3-18(15)23)30-10-20(29)27-22-11-21(12-22,13-22)26-16-4-5-25-19(9-16)28-7-6-24-14-28;1-15-8-17(4-5-18(15)23)30-11-19(29)27-22-12-21(13-22,14-22)26-16-9-24-20(25-10-16)28-6-2-3-7-28/h2-5,10-11,16,30H,6-9,12-15H2,1H3,(H,31,33);2-11H,12-15H2,1H3,(H,26,27)(H,28,30);2-6,11H,7-10,12-15H2,1H3,(H,25,26)(H,27,29);2-9,14H,10-13H2,1H3,(H,25,26)(H,27,29);2-10,26H,11-14H2,1H3,(H,27,29)
InChIKeyMTDSCBBABKFOSF-UHFFFAOYSA-N
XLogP17.37
TPSA411.72 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002235.68
LogP ≤ 517.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165016875
2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methoxypyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(3-cyano-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(trifluoromethyl)pyrimidin-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165073482
2-(4-chlorophenoxy)-N-[2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]acetamide;2-(4-chlorophenoxy)-N-(2-piperazin-1-ylquinazolin-6-yl)acetamide
CID 69693341
2-(4-chlorophenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylpyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(4-chlorophenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 69693962
2-(4-chlorophenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)quinazolin-6-yl]acetamide;2-(4-chlorophenoxy)-N-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]acetamide
CID 69694719
N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)quinazolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide;2-(2,4-dichlorophenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]quinazolin-6-yl]acetamide
CID 87952868
2-(4-chlorophenoxy)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-6-yl]acetamide;2-(4-chlorophenoxy)-N-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]acetamide
CID 88027798
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-[2-[3-(dimethylamino)propyl-methylamino]-4-methylquinazolin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-[4-methyl-2-[methyl-[2-(methylamino)ethyl]amino]quinolin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinolin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoxalin-6-yl]acetamide
CID 157514162
2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164960205
2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164967234
2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164972535
2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate
CID 165025767

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 159663886) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4ccc5ncnc(N6CCOCC6)c5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(-n5ccccc5=O)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-n5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-n5cccc5)nc4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is MTDSCBBABKFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3.C24H23ClN4O3.C23H27ClN4O3.2C22H22ClN5O2/c1-17-10-19(3-4-21(17)27)35-12-23(33)31-26-13-25(14-26,15-26)30-18-2-5-22-20(11-18)24(29-16-28-22)32-6-8-34-9-7-32;1-16-11-17(8-9-18(16)25)32-12-21(30)28-24-13-23(14-24,15-24)27-19-5-4-6-20(26-19)29-10-3-2-7-22(29)31;1-16-11-17(5-6-18(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-19-3-2-4-20(25-19)28-7-9-30-10-8-28;1-15-8-17(2-3-18(15)23)30-10-20(29)27-22-11-21(12-22,13-22)26-16-4-5-25-19(9-16)28-7-6-24-14-28;1-15-8-17(4-5-18(15)23)30-11-19(29)27-22-12-21(13-22,14-22)26-16-9-24-20(25-10-16)28-6-2-3-7-28/h2-5,10-11,16,30H,6-9,12-15H2,1H3,(H,31,33);2-11H,12-15H2,1H3,(H,26,27)(H,28,30);2-6,11H,7-10,12-15H2,1H3,(H,25,26)(H,27,29);2-9,14H,10-13H2,1H3,(H,25,26)(H,27,29);2-10,26H,11-14H2,1H3,(H,27,29).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2235.68 g/mol, XLogP of 17.37, 35 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 159663886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).