6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C154H167Cl3F6N12O30 — CID 163841188

IUPAC6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc(OCC(=O)CC23CC(NC(=O)C4(C)CCc5cc(Cl)ccc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(CC(=O)c4cnc(C5CN(CC(F)(F)F)C5)o4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccccn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4cnc(C5CCC5)o4)(C1)C3)O2
InChIInChI=1S/2C28H31ClFNO6.C26H27ClFNO4.C26H28F3N3O5.C24H27N3O5.C22H23N3O4/c2*1-16-2-4-18(11-20(16)30)36-15-26(35)31-28-8-6-27(7-9-28,25(34)14-28)13-22(33)24-12-21(32)19-10-17(29)3-5-23(19)37-24;1-16-3-5-20(10-21(16)28)32-12-19(30)11-25-13-26(14-25,15-25)29-23(31)24(2)8-7-17-9-18(27)4-6-22(17)33-24;1-14-2-3-19-16(4-14)17(33)5-20(36-19)22(35)31-25-10-24(11-25,12-25)6-18(34)21-7-30-23(37-21)15-8-32(9-15)13-26(27,28)29;1-13-5-6-17-15(7-13)16(28)8-18(31-17)20(29)26-23-10-24(11-23,12-23)27-21(30)19-9-25-22(32-19)14-3-2-4-14;1-13-5-6-17-14(8-13)16(26)9-18(29-17)20(28)25-22-10-21(11-22,12-22)24-19(27)15-4-2-3-7-23-15/h2*2-5,10-11,21,24-25,32,34H,6-9,12-15H2,1H3,(H,31,35);3-6,9-10H,7-8,11-15H2,1-2H3,(H,29,31);2-4,7,15,17,20,33H,5-6,8-13H2,1H3,(H,31,35);5-7,9,14,16,18,28H,2-4,8,10-12H2,1H3,(H,26,29)(H,27,30);2-8,16,18,26H,9-12H2,1H3,(H,24,27)(H,25,28)/t21-,24-,25+,27?,28?;21-,24-,25-,27?,28?;;17-,20-,24?,25?;16-,18-,23?,24?;16-,18-,21?,22?/m10.111/s1
InChIKeyOMDOODHEJHDZNN-CPZZGIGCSA-N
MW2886.43 g/mol
LogP21.22
Rot. Bonds37

About 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163841188) has the molecular formula C154H167Cl3F6N12O30 and a molecular weight of 2886.43 g/mol. Its IUPAC name is 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163841188
Molecular FormulaC154H167Cl3F6N12O30
Molecular Weight2886.43 g/mol
Exact Mass2883.09
IUPAC Name6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc(OCC(=O)CC23CC(NC(=O)C4(C)CCc5cc(Cl)ccc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(CC(=O)c4cnc(C5CN(CC(F)(F)F)C5)o4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccccn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4cnc(C5CCC5)o4)(C1)C3)O2
InChIInChI=1S/2C28H31ClFNO6.C26H27ClFNO4.C26H28F3N3O5.C24H27N3O5.C22H23N3O4/c2*1-16-2-4-18(11-20(16)30)36-15-26(35)31-28-8-6-27(7-9-28,25(34)14-28)13-22(33)24-12-21(32)19-10-17(29)3-5-23(19)37-24;1-16-3-5-20(10-21(16)28)32-12-19(30)11-25-13-26(14-25,15-25)29-23(31)24(2)8-7-17-9-18(27)4-6-22(17)33-24;1-14-2-3-19-16(4-14)17(33)5-20(36-19)22(35)31-25-10-24(11-25,12-25)6-18(34)21-7-30-23(37-21)15-8-32(9-15)13-26(27,28)29;1-13-5-6-17-15(7-13)16(28)8-18(31-17)20(29)26-23-10-24(11-23,12-23)27-21(30)19-9-25-22(32-19)14-3-2-4-14;1-13-5-6-17-14(8-13)16(26)9-18(29-17)20(28)25-22-10-21(11-22,12-22)24-19(27)15-4-2-3-7-23-15/h2*2-5,10-11,21,24-25,32,34H,6-9,12-15H2,1H3,(H,31,35);3-6,9-10H,7-8,11-15H2,1-2H3,(H,29,31);2-4,7,15,17,20,33H,5-6,8-13H2,1H3,(H,31,35);5-7,9,14,16,18,28H,2-4,8,10-12H2,1H3,(H,26,29)(H,27,30);2-8,16,18,26H,9-12H2,1H3,(H,24,27)(H,25,28)/t21-,24-,25+,27?,28?;21-,24-,25-,27?,28?;;17-,20-,24?,25?;16-,18-,23?,24?;16-,18-,21?,22?/m10.111/s1
InChIKeyOMDOODHEJHDZNN-CPZZGIGCSA-N
XLogP21.22
TPSA593.95 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002886.43
LogP ≤ 521.22
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 163841188) is 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc(OCC(=O)CC23CC(NC(=O)C4(C)CCc5cc(Cl)ccc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(CC(=O)c4cnc(C5CN(CC(F)(F)F)C5)o4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccccn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4cnc(C5CCC5)o4)(C1)C3)O2.
What is the InChIKey of 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is OMDOODHEJHDZNN-CPZZGIGCSA-N. The full InChI is InChI=1S/2C28H31ClFNO6.C26H27ClFNO4.C26H28F3N3O5.C24H27N3O5.C22H23N3O4/c2*1-16-2-4-18(11-20(16)30)36-15-26(35)31-28-8-6-27(7-9-28,25(34)14-28)13-22(33)24-12-21(32)19-10-17(29)3-5-23(19)37-24;1-16-3-5-20(10-21(16)28)32-12-19(30)11-25-13-26(14-25,15-25)29-23(31)24(2)8-7-17-9-18(27)4-6-22(17)33-24;1-14-2-3-19-16(4-14)17(33)5-20(36-19)22(35)31-25-10-24(11-25,12-25)6-18(34)21-7-30-23(37-21)15-8-32(9-15)13-26(27,28)29;1-13-5-6-17-15(7-13)16(28)8-18(31-17)20(29)26-23-10-24(11-23,12-23)27-21(30)19-9-25-22(32-19)14-3-2-4-14;1-13-5-6-17-14(8-13)16(26)9-18(29-17)20(28)25-22-10-21(11-22,12-22)24-19(27)15-4-2-3-7-23-15/h2*2-5,10-11,21,24-25,32,34H,6-9,12-15H2,1H3,(H,31,35);3-6,9-10H,7-8,11-15H2,1-2H3,(H,29,31);2-4,7,15,17,20,33H,5-6,8-13H2,1H3,(H,31,35);5-7,9,14,16,18,28H,2-4,8,10-12H2,1H3,(H,26,29)(H,27,30);2-8,16,18,26H,9-12H2,1H3,(H,24,27)(H,25,28)/t21-,24-,25+,27?,28?;21-,24-,25-,27?,28?;;17-,20-,24?,25?;16-,18-,23?,24?;16-,18-,21?,22?/m10.111/s1.
What are the key properties of 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 2886.43 g/mol, XLogP of 21.22, 37 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).