N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

C193H176F2N26O17S — CID 160991406

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESCc1ccccc1C1CCN(CCNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1.O=C(NC1CCC(CCc2cccc(F)c2F)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NC1CCC(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1cccc2ccncc12)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1nccc2ccccc12)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C1CC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2ccccc2N1
InChIInChI=1S/C30H29F2N3O2.C30H32N4O2.C29H30N4O2.C29H29N3O4S.C25H20N4O3.2C25H18N4O2/c31-25-5-1-3-19(26(25)32)9-6-18-7-12-23(13-8-18)34-28(36)20-10-11-21-16-30(17-22(21)15-20)24-4-2-14-33-27(24)35-29(30)37;35-28(32-13-16-34-14-10-22(11-15-34)17-21-5-2-1-3-6-21)23-8-9-24-19-30(20-25(24)18-23)26-7-4-12-31-27(26)33-29(30)36;1-19-5-2-3-6-24(19)22-10-13-33(18-22)14-12-31-27(34)20-8-9-21-16-29(17-23(21)15-20)25-7-4-11-30-26(25)32-28(29)35;33-27(31-23-10-12-24(13-11-23)37(35,36)18-19-5-2-1-3-6-19)20-8-9-21-16-29(17-22(21)15-20)25-7-4-14-30-26(25)32-28(29)34;30-21-11-20(17-4-1-2-6-19(17)27-21)28-23(31)14-7-8-15-12-25(13-16(15)10-14)18-5-3-9-26-22(18)29-24(25)32;30-23(28-21-5-1-3-15-8-10-26-14-19(15)21)16-6-7-17-12-25(13-18(17)11-16)20-4-2-9-27-22(20)29-24(25)31;30-23(28-21-19-5-2-1-4-15(19)9-11-27-21)16-7-8-17-13-25(14-18(17)12-16)20-6-3-10-26-22(20)29-24(25)31/h1-5,10-11,14-15,18,23H,6-9,12-13,16-17H2,(H,34,36)(H,33,35,37);1-9,12,18,22H,10-11,13-17,19-20H2,(H,32,35)(H,31,33,36);2-9,11,15,22H,10,12-14,16-18H2,1H3,(H,31,34)(H,30,32,35);1-9,14-15,23-24H,10-13,16-18H2,(H,31,33)(H,30,32,34);1-10,20H,11-13H2,(H,27,30)(H,28,31)(H,26,29,32);1-11,14H,12-13H2,(H,28,30)(H,27,29,31);1-12H,13-14H2,(H,26,29,31)(H,27,28,30)
InChIKeyTURIENHDRHOVRF-UHFFFAOYSA-N
MW3201.76 g/mol
LogP26.97
Rot. Bonds27

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide (PubChem CID 160991406) has the molecular formula C193H176F2N26O17S and a molecular weight of 3201.76 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
PubChem CID160991406
Molecular FormulaC193H176F2N26O17S
Molecular Weight3201.76 g/mol
Exact Mass3199.34
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESCc1ccccc1C1CCN(CCNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1.O=C(NC1CCC(CCc2cccc(F)c2F)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NC1CCC(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1cccc2ccncc12)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1nccc2ccccc12)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C1CC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2ccccc2N1
InChIInChI=1S/C30H29F2N3O2.C30H32N4O2.C29H30N4O2.C29H29N3O4S.C25H20N4O3.2C25H18N4O2/c31-25-5-1-3-19(26(25)32)9-6-18-7-12-23(13-8-18)34-28(36)20-10-11-21-16-30(17-22(21)15-20)24-4-2-14-33-27(24)35-29(30)37;35-28(32-13-16-34-14-10-22(11-15-34)17-21-5-2-1-3-6-21)23-8-9-24-19-30(20-25(24)18-23)26-7-4-12-31-27(26)33-29(30)36;1-19-5-2-3-6-24(19)22-10-13-33(18-22)14-12-31-27(34)20-8-9-21-16-29(17-23(21)15-20)25-7-4-11-30-26(25)32-28(29)35;33-27(31-23-10-12-24(13-11-23)37(35,36)18-19-5-2-1-3-6-19)20-8-9-21-16-29(17-22(21)15-20)25-7-4-14-30-26(25)32-28(29)34;30-21-11-20(17-4-1-2-6-19(17)27-21)28-23(31)14-7-8-15-12-25(13-16(15)10-14)18-5-3-9-26-22(18)29-24(25)32;30-23(28-21-5-1-3-15-8-10-26-14-19(15)21)16-6-7-17-12-25(13-18(17)11-16)20-4-2-9-27-22(20)29-24(25)31;30-23(28-21-19-5-2-1-4-15(19)9-11-27-21)16-7-8-17-13-25(14-18(17)12-16)20-6-3-10-26-22(20)29-24(25)31/h1-5,10-11,14-15,18,23H,6-9,12-13,16-17H2,(H,34,36)(H,33,35,37);1-9,12,18,22H,10-11,13-17,19-20H2,(H,32,35)(H,31,33,36);2-9,11,15,22H,10,12-14,16-18H2,1H3,(H,31,34)(H,30,32,35);1-9,14-15,23-24H,10-13,16-18H2,(H,31,33)(H,30,32,34);1-10,20H,11-13H2,(H,27,30)(H,28,31)(H,26,29,32);1-11,14H,12-13H2,(H,28,30)(H,27,29,31);1-12H,13-14H2,(H,26,29,31)(H,27,28,30)
InChIKeyTURIENHDRHOVRF-UHFFFAOYSA-N
XLogP26.97
TPSA593.13 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003201.76
LogP ≤ 526.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide (CID 160991406) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide is Cc1ccccc1C1CCN(CCNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1.O=C(NC1CCC(CCc2cccc(F)c2F)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NC1CCC(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1cccc2ccncc12)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(Nc1nccc2ccccc12)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C1CC(NC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c2ccccc2N1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The InChIKey is TURIENHDRHOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O2.C30H32N4O2.C29H30N4O2.C29H29N3O4S.C25H20N4O3.2C25H18N4O2/c31-25-5-1-3-19(26(25)32)9-6-18-7-12-23(13-8-18)34-28(36)20-10-11-21-16-30(17-22(21)15-20)24-4-2-14-33-27(24)35-29(30)37;35-28(32-13-16-34-14-10-22(11-15-34)17-21-5-2-1-3-6-21)23-8-9-24-19-30(20-25(24)18-23)26-7-4-12-31-27(26)33-29(30)36;1-19-5-2-3-6-24(19)22-10-13-33(18-22)14-12-31-27(34)20-8-9-21-16-29(17-23(21)15-20)25-7-4-11-30-26(25)32-28(29)35;33-27(31-23-10-12-24(13-11-23)37(35,36)18-19-5-2-1-3-6-19)20-8-9-21-16-29(17-22(21)15-20)25-7-4-14-30-26(25)32-28(29)34;30-21-11-20(17-4-1-2-6-19(17)27-21)28-23(31)14-7-8-15-12-25(13-16(15)10-14)18-5-3-9-26-22(18)29-24(25)32;30-23(28-21-5-1-3-15-8-10-26-14-19(15)21)16-6-7-17-12-25(13-18(17)11-16)20-4-2-9-27-22(20)29-24(25)31;30-23(28-21-19-5-2-1-4-15(19)9-11-27-21)16-7-8-17-13-25(14-18(17)12-16)20-6-3-10-26-22(20)29-24(25)31/h1-5,10-11,14-15,18,23H,6-9,12-13,16-17H2,(H,34,36)(H,33,35,37);1-9,12,18,22H,10-11,13-17,19-20H2,(H,32,35)(H,31,33,36);2-9,11,15,22H,10,12-14,16-18H2,1H3,(H,31,34)(H,30,32,35);1-9,14-15,23-24H,10-13,16-18H2,(H,31,33)(H,30,32,34);1-10,20H,11-13H2,(H,27,30)(H,28,31)(H,26,29,32);1-11,14H,12-13H2,(H,28,30)(H,27,29,31);1-12H,13-14H2,(H,26,29,31)(H,27,28,30).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide has a molecular weight of 3201.76 g/mol, XLogP of 26.97, 27 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-(4-benzylsulfonylcyclohexyl)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[4-[2-(2,3-difluorophenyl)ethyl]cyclohexyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-1-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-isoquinolin-8-yl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide is sourced from PubChem (CID 160991406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).