3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one

C158H169Cl6F5N10O28 — CID 159852422

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one
SMILESCC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)C1.Cc1ccc(-n2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.Cc1ccc2c(c1)C(=O)CC(C(=O)NC1CCC(CC(=O)COc3ccc(Cl)c(F)c3)CC1)O2.Cc1ccc2c(c1)CCC(CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccn2cc(CCC(=O)[C@@H]3CC[C@@H](CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)CO3)nc2c1.Cc1ccn2cc(CCC(=O)[C@@H]3CC[C@@H](CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)CO3)nc2c1
InChIInChI=1S/C27H34ClF2NO6.2C27H29ClN2O5.C26H24ClFN2O3.C26H27ClFNO5.C25H26ClFN2O4/c1-25(29,30)37-18-11-17(12-18)35-15-24(34)31-27-7-4-26(5-8-27,6-9-27)14-21(33)23-13-20(32)19-10-16(28)2-3-22(19)36-23;2*1-16-8-9-30-14-19(29-27(30)10-16)4-5-21(31)25-6-2-17(15-34-25)11-23(33)26-13-22(32)20-12-18(28)3-7-24(20)35-26;1-15-2-4-18(7-20(15)28)30-11-16(10-29-30)26-12-25(13-26,14-26)9-22(32)24-8-21(31)19-6-17(27)3-5-23(19)33-24;1-15-2-9-24-20(10-15)23(31)13-25(34-24)26(32)29-17-5-3-16(4-6-17)11-18(30)14-33-19-7-8-21(27)22(28)12-19;1-15-2-7-21-16(8-15)3-4-18(33-21)10-28-23(31)24-12-25(13-24,14-24)29-22(30)11-32-17-5-6-19(26)20(27)9-17/h2-3,10,17-18,20,23,32H,4-9,11-15H2,1H3,(H,31,34);2*3,7-10,12,14,17,22,25-26,32H,2,4-6,11,13,15H2,1H3;2-7,10-11,21,24,31H,8-9,12-14H2,1H3;2,7-10,12,16-17,25H,3-6,11,13-14H2,1H3,(H,29,32);2,5-9,18H,3-4,10-14H2,1H3,(H,28,31)(H,29,30)/t17?,18?,20-,23+,26?,27?;17-,22+,25-,26+;17-,22-,25-,26-;21-,24+,25?,26?;;/m1001../s1
InChIKeyNQCLEWKRTNJUFU-BZZNRQQPSA-N
MW2963.84 g/mol
LogP27.53
Rot. Bonds42

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one (PubChem CID 159852422) has the molecular formula C158H169Cl6F5N10O28 and a molecular weight of 2963.84 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one
PubChem CID159852422
Molecular FormulaC158H169Cl6F5N10O28
Molecular Weight2963.84 g/mol
Exact Mass2959.02
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one
SMILESCC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)C1.Cc1ccc(-n2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.Cc1ccc2c(c1)C(=O)CC(C(=O)NC1CCC(CC(=O)COc3ccc(Cl)c(F)c3)CC1)O2.Cc1ccc2c(c1)CCC(CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccn2cc(CCC(=O)[C@@H]3CC[C@@H](CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)CO3)nc2c1.Cc1ccn2cc(CCC(=O)[C@@H]3CC[C@@H](CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)CO3)nc2c1
InChIInChI=1S/C27H34ClF2NO6.2C27H29ClN2O5.C26H24ClFN2O3.C26H27ClFNO5.C25H26ClFN2O4/c1-25(29,30)37-18-11-17(12-18)35-15-24(34)31-27-7-4-26(5-8-27,6-9-27)14-21(33)23-13-20(32)19-10-16(28)2-3-22(19)36-23;2*1-16-8-9-30-14-19(29-27(30)10-16)4-5-21(31)25-6-2-17(15-34-25)11-23(33)26-13-22(32)20-12-18(28)3-7-24(20)35-26;1-15-2-4-18(7-20(15)28)30-11-16(10-29-30)26-12-25(13-26,14-26)9-22(32)24-8-21(31)19-6-17(27)3-5-23(19)33-24;1-15-2-9-24-20(10-15)23(31)13-25(34-24)26(32)29-17-5-3-16(4-6-17)11-18(30)14-33-19-7-8-21(27)22(28)12-19;1-15-2-7-21-16(8-15)3-4-18(33-21)10-28-23(31)24-12-25(13-24,14-24)29-22(30)11-32-17-5-6-19(26)20(27)9-17/h2-3,10,17-18,20,23,32H,4-9,11-15H2,1H3,(H,31,34);2*3,7-10,12,14,17,22,25-26,32H,2,4-6,11,13,15H2,1H3;2-7,10-11,21,24,31H,8-9,12-14H2,1H3;2,7-10,12,16-17,25H,3-6,11,13-14H2,1H3,(H,29,32);2,5-9,18H,3-4,10-14H2,1H3,(H,28,31)(H,29,30)/t17?,18?,20-,23+,26?,27?;17-,22+,25-,26+;17-,22-,25-,26-;21-,24+,25?,26?;;/m1001../s1
InChIKeyNQCLEWKRTNJUFU-BZZNRQQPSA-N
XLogP27.53
TPSA497.06 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.84
LogP ≤ 527.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one (CID 159852422) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one is CC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)C1.Cc1ccc(-n2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.Cc1ccc2c(c1)C(=O)CC(C(=O)NC1CCC(CC(=O)COc3ccc(Cl)c(F)c3)CC1)O2.Cc1ccc2c(c1)CCC(CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccn2cc(CCC(=O)[C@@H]3CC[C@@H](CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)CO3)nc2c1.Cc1ccn2cc(CCC(=O)[C@@H]3CC[C@@H](CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)CO3)nc2c1.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one?
The InChIKey is NQCLEWKRTNJUFU-BZZNRQQPSA-N. The full InChI is InChI=1S/C27H34ClF2NO6.2C27H29ClN2O5.C26H24ClFN2O3.C26H27ClFNO5.C25H26ClFN2O4/c1-25(29,30)37-18-11-17(12-18)35-15-24(34)31-27-7-4-26(5-8-27,6-9-27)14-21(33)23-13-20(32)19-10-16(28)2-3-22(19)36-23;2*1-16-8-9-30-14-19(29-27(30)10-16)4-5-21(31)25-6-2-17(15-34-25)11-23(33)26-13-22(32)20-12-18(28)3-7-24(20)35-26;1-15-2-4-18(7-20(15)28)30-11-16(10-29-30)26-12-25(13-26,14-26)9-22(32)24-8-21(31)19-6-17(27)3-5-23(19)33-24;1-15-2-9-24-20(10-15)23(31)13-25(34-24)26(32)29-17-5-3-16(4-6-17)11-18(30)14-33-19-7-8-21(27)22(28)12-19;1-15-2-7-21-16(8-15)3-4-18(33-21)10-28-23(31)24-12-25(13-24,14-24)29-22(30)11-32-17-5-6-19(26)20(27)9-17/h2-3,10,17-18,20,23,32H,4-9,11-15H2,1H3,(H,31,34);2*3,7-10,12,14,17,22,25-26,32H,2,4-6,11,13,15H2,1H3;2-7,10-11,21,24,31H,8-9,12-14H2,1H3;2,7-10,12,16-17,25H,3-6,11,13-14H2,1H3,(H,29,32);2,5-9,18H,3-4,10-14H2,1H3,(H,28,31)(H,29,30)/t17?,18?,20-,23+,26?,27?;17-,22+,25-,26+;17-,22-,25-,26-;21-,24+,25?,26?;;/m1001../s1.
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one has a molecular weight of 2963.84 g/mol, XLogP of 27.53, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(3-fluoro-4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[(2S,5S)-5-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one;1-[(2S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]oxan-2-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 159852422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).