(2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C158H162F9N21O12S2 — CID 159958148

IUPAC(2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC1(C)NC[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2cc3c(cn2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)[C@@]1(C)CF.C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CCS(=O)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CCSc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CCN1C(=O)C2(CCCC2)NCC12CCCCCC2)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C32H31F3N4O2.C32H32F2N4O3S.C32H32F2N4O2S.C32H38N4O3.C30H29F2N5O2/c1-30(18-33)29(41)39(31(2,19-38(30)3)23-13-24(34)15-25(35)14-23)11-5-6-20-8-9-21-16-32(17-22(21)12-20)26-7-4-10-36-27(26)37-28(32)40;1-30(22-14-23(33)16-24(34)15-22)19-36-32(8-2-3-9-32)29(40)38(30)11-12-42(41)25-7-6-20-17-31(18-21(20)13-25)26-5-4-10-35-27(26)37-28(31)39;1-30(22-14-23(33)16-24(34)15-22)19-36-32(8-2-3-9-32)29(40)38(30)11-12-41-25-7-6-20-17-31(18-21(20)13-25)26-5-4-10-35-27(26)37-28(31)39;37-26(11-17-36-29(39)32(14-5-6-15-32)34-21-30(36)12-3-1-2-4-13-30)22-9-10-23-19-31(20-24(23)18-22)25-8-7-16-33-27(25)35-28(31)38;1-28(2)27(39)37(29(3,17-35-28)20-11-21(31)13-22(32)12-20)9-5-6-23-10-18-14-30(15-19(18)16-34-23)24-7-4-8-33-25(24)36-26(30)38/h4-10,12-15H,11,16-19H2,1-3H3,(H,36,37,40);4-7,10,13-16,36H,2-3,8-9,11-12,17-19H2,1H3,(H,35,37,39);4-7,10,13-16,36H,2-3,8-9,11-12,17-19H2,1H3,(H,35,37,39);7-10,16,18,34H,1-6,11-15,17,19-21H2,(H,33,35,38);4-8,10-13,16,35H,9,14-15,17H2,1-3H3,(H,33,36,38)/b6-5+;;;;6-5+/t30-,31+,32-;30-,31+,42?;30-,31+;31-;29-,30?/m10010/s1
InChIKeyOCZBHKGBFAZKGX-CAFOVBTISA-N
MW2782.28 g/mol
LogP22.36
Rot. Bonds23

About (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

(2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 159958148) has the molecular formula C158H162F9N21O12S2 and a molecular weight of 2782.28 g/mol. Its IUPAC name is (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name(2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID159958148
Molecular FormulaC158H162F9N21O12S2
Molecular Weight2782.28 g/mol
Exact Mass2780.20
IUPAC Name(2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC1(C)NC[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2cc3c(cn2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)[C@@]1(C)CF.C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CCS(=O)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CCSc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CCN1C(=O)C2(CCCC2)NCC12CCCCCC2)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C32H31F3N4O2.C32H32F2N4O3S.C32H32F2N4O2S.C32H38N4O3.C30H29F2N5O2/c1-30(18-33)29(41)39(31(2,19-38(30)3)23-13-24(34)15-25(35)14-23)11-5-6-20-8-9-21-16-32(17-22(21)12-20)26-7-4-10-36-27(26)37-28(32)40;1-30(22-14-23(33)16-24(34)15-22)19-36-32(8-2-3-9-32)29(40)38(30)11-12-42(41)25-7-6-20-17-31(18-21(20)13-25)26-5-4-10-35-27(26)37-28(31)39;1-30(22-14-23(33)16-24(34)15-22)19-36-32(8-2-3-9-32)29(40)38(30)11-12-41-25-7-6-20-17-31(18-21(20)13-25)26-5-4-10-35-27(26)37-28(31)39;37-26(11-17-36-29(39)32(14-5-6-15-32)34-21-30(36)12-3-1-2-4-13-30)22-9-10-23-19-31(20-24(23)18-22)25-8-7-16-33-27(25)35-28(31)38;1-28(2)27(39)37(29(3,17-35-28)20-11-21(31)13-22(32)12-20)9-5-6-23-10-18-14-30(15-19(18)16-34-23)24-7-4-8-33-25(24)36-26(30)38/h4-10,12-15H,11,16-19H2,1-3H3,(H,36,37,40);4-7,10,13-16,36H,2-3,8-9,11-12,17-19H2,1H3,(H,35,37,39);4-7,10,13-16,36H,2-3,8-9,11-12,17-19H2,1H3,(H,35,37,39);7-10,16,18,34H,1-6,11-15,17,19-21H2,(H,33,35,38);4-8,10-13,16,35H,9,14-15,17H2,1-3H3,(H,33,36,38)/b6-5+;;;;6-5+/t30-,31+,32-;30-,31+,42?;30-,31+;31-;29-,30?/m10010/s1
InChIKeyOCZBHKGBFAZKGX-CAFOVBTISA-N
XLogP22.36
TPSA409.89 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002782.28
LogP ≤ 522.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 159958148) is (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is CC1(C)NC[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2cc3c(cn2)CC2(C3)C(=O)Nc3ncccc32)C1=O.CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)[C@@]1(C)CF.C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CCS(=O)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CCSc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.O=C(CCN1C(=O)C2(CCCC2)NCC12CCCCCC2)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is OCZBHKGBFAZKGX-CAFOVBTISA-N. The full InChI is InChI=1S/C32H31F3N4O2.C32H32F2N4O3S.C32H32F2N4O2S.C32H38N4O3.C30H29F2N5O2/c1-30(18-33)29(41)39(31(2,19-38(30)3)23-13-24(34)15-25(35)14-23)11-5-6-20-8-9-21-16-32(17-22(21)12-20)26-7-4-10-36-27(26)37-28(32)40;1-30(22-14-23(33)16-24(34)15-22)19-36-32(8-2-3-9-32)29(40)38(30)11-12-42(41)25-7-6-20-17-31(18-21(20)13-25)26-5-4-10-35-27(26)37-28(31)39;1-30(22-14-23(33)16-24(34)15-22)19-36-32(8-2-3-9-32)29(40)38(30)11-12-41-25-7-6-20-17-31(18-21(20)13-25)26-5-4-10-35-27(26)37-28(31)39;37-26(11-17-36-29(39)32(14-5-6-15-32)34-21-30(36)12-3-1-2-4-13-30)22-9-10-23-19-31(20-24(23)18-22)25-8-7-16-33-27(25)35-28(31)38;1-28(2)27(39)37(29(3,17-35-28)20-11-21(31)13-22(32)12-20)9-5-6-23-10-18-14-30(15-19(18)16-34-23)24-7-4-8-33-25(24)36-26(30)38/h4-10,12-15H,11,16-19H2,1-3H3,(H,36,37,40);4-7,10,13-16,36H,2-3,8-9,11-12,17-19H2,1H3,(H,35,37,39);4-7,10,13-16,36H,2-3,8-9,11-12,17-19H2,1H3,(H,35,37,39);7-10,16,18,34H,1-6,11-15,17,19-21H2,(H,33,35,38);4-8,10-13,16,35H,9,14-15,17H2,1-3H3,(H,33,36,38)/b6-5+;;;;6-5+/t30-,31+,32-;30-,31+,42?;30-,31+;31-;29-,30?/m10010/s1.
What are the key properties of (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
(2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 2782.28 g/mol, XLogP of 22.36, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(E)-3-[(2R,5S)-2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfanyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;(2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]ethylsulfinyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;3'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-2-one;(2R)-5-[3-(16-oxo-6,15-diazadispiro[4.2.68.25]hexadecan-15-yl)propanoyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 159958148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).