[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide

C186H200F2N14O56 — CID 158859753

IUPAC[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide
SMILESCn1ncc(C(=O)N2CCC3(CC2)c2cc(C#C[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)ccc2-c2ccc(C#C[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc23)n1.Cn1nccc1C(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.NC(=O)CCC(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ncc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.O=C(C1CC1(F)F)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.O=C(c1cnccn1)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12
InChIInChI=1S/C38H41N3O11.C38H39N3O11.C37H39F2NO11.C37H40N4O11.C36H41N3O12/c1-40-26(10-13-39-40)37(50)41-14-11-38(12-15-41)24-16-20(4-8-27-31(44)35(48)33(46)29(18-42)51-27)2-6-22(24)23-7-3-21(17-25(23)38)5-9-28-32(45)36(49)34(47)30(19-43)52-28;42-18-29-33(46)35(48)31(44)27(51-29)7-3-20-1-5-22-23-6-2-21(4-8-28-32(45)36(49)34(47)30(19-43)52-28)16-25(23)38(24(22)15-20)9-13-41(14-10-38)37(50)26-17-39-11-12-40-26;38-37(39)15-24(37)35(49)40-11-9-36(10-12-40)22-13-18(3-7-25-29(43)33(47)31(45)27(16-41)50-25)1-5-20(22)21-6-2-19(14-23(21)36)4-8-26-30(44)34(48)32(46)28(17-42)51-26;1-40-38-16-25(39-40)36(50)41-12-10-37(11-13-41)23-14-19(4-8-26-30(44)34(48)32(46)28(17-42)51-26)2-6-21(23)22-7-3-20(15-24(22)37)5-9-27-31(45)35(49)33(47)29(18-43)52-27;37-27(42)7-8-28(43)39-11-9-36(10-12-39)21-13-18(2-5-23-30(44)34(48)32(46)25(16-40)50-23)1-4-20(21)29-22(36)14-19(15-38-29)3-6-24-31(45)35(49)33(47)26(17-41)51-24/h2-3,6-7,10,13,16-17,27-36,42-49H,11-12,14-15,18-19H2,1H3;1-2,5-6,11-12,15-17,27-36,42-49H,9-10,13-14,18-19H2;1-2,5-6,13-14,24-34,41-48H,9-12,15-17H2;2-3,6-7,14-16,26-35,42-49H,10-13,17-18H2,1H3;1,4,13-15,23-26,30-35,40-41,44-49H,7-12,16-17H2,(H2,37,42)/t2*27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;24?,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-;26-,27-,28-,29-,30-,31-,32-,33-,34-,35-;23-,24-,25-,26-,30-,31-,32-,33-,34-,35-/m11111/s1
InChIKeyJAMWILHFIKUILI-XBAWPRLPSA-N
MW3565.68 g/mol
LogP-11.27
Rot. Bonds17

About [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide

[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide (PubChem CID 158859753) has the molecular formula C186H200F2N14O56 and a molecular weight of 3565.68 g/mol. Its IUPAC name is [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide.

Molecular Properties

Compound Name[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide
PubChem CID158859753
Molecular FormulaC186H200F2N14O56
Molecular Weight3565.68 g/mol
Exact Mass3563.32
IUPAC Name[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide
SMILESCn1ncc(C(=O)N2CCC3(CC2)c2cc(C#C[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)ccc2-c2ccc(C#C[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc23)n1.Cn1nccc1C(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.NC(=O)CCC(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ncc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.O=C(C1CC1(F)F)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.O=C(c1cnccn1)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12
InChIInChI=1S/C38H41N3O11.C38H39N3O11.C37H39F2NO11.C37H40N4O11.C36H41N3O12/c1-40-26(10-13-39-40)37(50)41-14-11-38(12-15-41)24-16-20(4-8-27-31(44)35(48)33(46)29(18-42)51-27)2-6-22(24)23-7-3-21(17-25(23)38)5-9-28-32(45)36(49)34(47)30(19-43)52-28;42-18-29-33(46)35(48)31(44)27(51-29)7-3-20-1-5-22-23-6-2-21(4-8-28-32(45)36(49)34(47)30(19-43)52-28)16-25(23)38(24(22)15-20)9-13-41(14-10-38)37(50)26-17-39-11-12-40-26;38-37(39)15-24(37)35(49)40-11-9-36(10-12-40)22-13-18(3-7-25-29(43)33(47)31(45)27(16-41)50-25)1-5-20(22)21-6-2-19(14-23(21)36)4-8-26-30(44)34(48)32(46)28(17-42)51-26;1-40-38-16-25(39-40)36(50)41-12-10-37(11-13-41)23-14-19(4-8-26-30(44)34(48)32(46)28(17-42)51-26)2-6-21(23)22-7-3-20(15-24(22)37)5-9-27-31(45)35(49)33(47)29(18-43)52-27;37-27(42)7-8-28(43)39-11-9-36(10-12-39)21-13-18(2-5-23-30(44)34(48)32(46)25(16-40)50-23)1-4-20(21)29-22(36)14-19(15-38-29)3-6-24-31(45)35(49)33(47)26(17-41)51-24/h2-3,6-7,10,13,16-17,27-36,42-49H,11-12,14-15,18-19H2,1H3;1-2,5-6,11-12,15-17,27-36,42-49H,9-10,13-14,18-19H2;1-2,5-6,13-14,24-34,41-48H,9-12,15-17H2;2-3,6-7,14-16,26-35,42-49H,10-13,17-18H2,1H3;1,4,13-15,23-26,30-35,40-41,44-49H,7-12,16-17H2,(H2,37,42)/t2*27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;24?,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-;26-,27-,28-,29-,30-,31-,32-,33-,34-,35-;23-,24-,25-,26-,30-,31-,32-,33-,34-,35-/m11111/s1
InChIKeyJAMWILHFIKUILI-XBAWPRLPSA-N
XLogP-11.27
TPSA1133.34 Ų
H-Bond Donors41
H-Bond Acceptors64
Rotatable Bonds17
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003565.68
LogP ≤ 5-11.27
H-Bond Donors ≤ 541
H-Bond Acceptors ≤ 1064

Analyze [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide?
The IUPAC name of [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide (CID 158859753) is [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide.
What is the SMILES notation for [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide?
The canonical SMILES for [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide is Cn1ncc(C(=O)N2CCC3(CC2)c2cc(C#C[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)ccc2-c2ccc(C#C[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc23)n1.Cn1nccc1C(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.NC(=O)CCC(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ncc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.O=C(C1CC1(F)F)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.O=C(c1cnccn1)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12.
What is the InChIKey of [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide?
The InChIKey is JAMWILHFIKUILI-XBAWPRLPSA-N. The full InChI is InChI=1S/C38H41N3O11.C38H39N3O11.C37H39F2NO11.C37H40N4O11.C36H41N3O12/c1-40-26(10-13-39-40)37(50)41-14-11-38(12-15-41)24-16-20(4-8-27-31(44)35(48)33(46)29(18-42)51-27)2-6-22(24)23-7-3-21(17-25(23)38)5-9-28-32(45)36(49)34(47)30(19-43)52-28;42-18-29-33(46)35(48)31(44)27(51-29)7-3-20-1-5-22-23-6-2-21(4-8-28-32(45)36(49)34(47)30(19-43)52-28)16-25(23)38(24(22)15-20)9-13-41(14-10-38)37(50)26-17-39-11-12-40-26;38-37(39)15-24(37)35(49)40-11-9-36(10-12-40)22-13-18(3-7-25-29(43)33(47)31(45)27(16-41)50-25)1-5-20(22)21-6-2-19(14-23(21)36)4-8-26-30(44)34(48)32(46)28(17-42)51-26;1-40-38-16-25(39-40)36(50)41-12-10-37(11-13-41)23-14-19(4-8-26-30(44)34(48)32(46)28(17-42)51-26)2-6-21(23)22-7-3-20(15-24(22)37)5-9-27-31(45)35(49)33(47)29(18-43)52-27;37-27(42)7-8-28(43)39-11-9-36(10-12-39)21-13-18(2-5-23-30(44)34(48)32(46)25(16-40)50-23)1-4-20(21)29-22(36)14-19(15-38-29)3-6-24-31(45)35(49)33(47)26(17-41)51-24/h2-3,6-7,10,13,16-17,27-36,42-49H,11-12,14-15,18-19H2,1H3;1-2,5-6,11-12,15-17,27-36,42-49H,9-10,13-14,18-19H2;1-2,5-6,13-14,24-34,41-48H,9-12,15-17H2;2-3,6-7,14-16,26-35,42-49H,10-13,17-18H2,1H3;1,4,13-15,23-26,30-35,40-41,44-49H,7-12,16-17H2,(H2,37,42)/t2*27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;24?,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-;26-,27-,28-,29-,30-,31-,32-,33-,34-,35-;23-,24-,25-,26-,30-,31-,32-,33-,34-,35-/m11111/s1.
What are the key properties of [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide?
[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide has a molecular weight of 3565.68 g/mol, XLogP of -11.27, 17 rotatable bonds, 41 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2,2-difluorocyclopropyl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-(2-methyltriazol-4-yl)methanone;[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]-pyrazin-2-ylmethanone;4-[3,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[indeno[1,2-b]pyridine-5,4'-piperidine]-1'-yl]-4-oxobutanamide is sourced from PubChem (CID 158859753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).