(2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone

C100H100Cl4F4N8O13 — CID 158986200

About (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone

(2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone (PubChem CID 158986200) has the molecular formula C100H100Cl4F4N8O13 and a molecular weight of 1839.75 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone.

Molecular Properties

• Compound Name: (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
• PubChem CID: 158986200
• Molecular Formula: C100H100Cl4F4N8O13
• Molecular Weight: 1839.75 g/mol
• Exact Mass: 1836.61
• IUPAC Name: (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
• SMILES: CC(F)(F)OC1CC(C2=CN=C(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)C2)C1.Cc1cc(-c2cn(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)ccc1F.Cc1ccc(-c2cn(C34CC(CC(=O)[C@@H]5C[C@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.O=C(CC12CC(n3cc(C4CCC4)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C26H28ClF2NO4.C26H24ClFN2O3.C25H23ClFN3O3.C23H25ClN2O3/c1-24(28,29)34-17-4-14(5-17)15-6-23(30-10-15)26-11-25(12-26,13-26)9-20(32)22-8-19(31)18-7-16(27)2-3-21(18)33-22;1-15-2-3-16(6-19(15)28)20-10-30(14-29-20)26-11-25(12-26,13-26)9-22(32)24-8-21(31)18-7-17(27)4-5-23(18)33-24;1-14-6-15(2-4-18(14)27)19-9-30(13-28-19)25-10-24(11-25,12-25)29-23(32)22-8-20(31)17-7-16(26)3-5-21(17)33-22;24-16-4-5-20-17(6-16)18(27)7-21(29-20)19(28)8-22-11-23(12-22,13-22)26-10-15(9-25-26)14-2-1-3-14/h2-3,7,10,14,17,19,22,31H,4-6,8-9,11-13H2,1H3;2-7,10,14,21,24,31H,8-9,11-13H2,1H3;2-7,9,13,20,22,31H,8,10-12H2,1H3,(H,29,32);4-6,9-10,14,18,21,27H,1-3,7-8,11-13H2/t14?,17?,19-,22-,25?,26?;21-,24-,25?,26?;20-,22-,24?,25?;18-,21-,22?,23?/m1011/s1
• InChIKey: JPPDTBWBFMZOBJ-FLJAUDTFSA-N
• XLogP: 19.98
• TPSA: 273.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.75
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?

The IUPAC name of (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone (CID 158986200) is (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone.

What is the SMILES notation for (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?

The canonical SMILES for (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone is CC(F)(F)OC1CC(C2=CN=C(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)C2)C1.Cc1cc(-c2cn(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)ccc1F.Cc1ccc(-c2cn(C34CC(CC(=O)[C@@H]5C[C@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.O=C(CC12CC(n3cc(C4CCC4)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?

The InChIKey is JPPDTBWBFMZOBJ-FLJAUDTFSA-N. The full InChI is InChI=1S/C26H28ClF2NO4.C26H24ClFN2O3.C25H23ClFN3O3.C23H25ClN2O3/c1-24(28,29)34-17-4-14(5-17)15-6-23(30-10-15)26-11-25(12-26,13-26)9-20(32)22-8-19(31)18-7-16(27)2-3-21(18)33-22;1-15-2-3-16(6-19(15)28)20-10-30(14-29-20)26-11-25(12-26,13-26)9-22(32)24-8-21(31)18-7-17(27)4-5-23(18)33-24;1-14-6-15(2-4-18(14)27)19-9-30(13-28-19)25-10-24(11-25,12-25)29-23(32)22-8-20(31)17-7-16(26)3-5-21(17)33-22;24-16-4-5-20-17(6-16)18(27)7-21(29-20)19(28)8-22-11-23(12-22,13-22)26-10-15(9-25-26)14-2-1-3-14/h2-3,7,10,14,17,19,22,31H,4-6,8-9,11-13H2,1H3;2-7,10,14,21,24,31H,8-9,11-13H2,1H3;2-7,9,13,20,22,31H,8,10-12H2,1H3,(H,29,32);4-6,9-10,14,18,21,27H,1-3,7-8,11-13H2/t14?,17?,19-,22-,25?,26?;21-,24-,25?,26?;20-,22-,24?,25?;18-,21-,22?,23?/m1011/s1.

What are the key properties of (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?

(2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone has a molecular weight of 1839.75 g/mol, XLogP of 19.98, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone is sourced from PubChem (CID 158986200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).