N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide

C156H155F10N25O15 — CID 159741986

IUPACN-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)CCCNC1.CC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)CCNC1.CN1CCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)C1.CN1CCCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)C1.O=C(CN(Cc1cc(F)cc(F)c1)C(=O)C1CN2CCC1CC2)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C32H31F2N5O3.C32H33F2N5O3.2C31H31F2N5O3.C30H29F2N5O3/c33-23-10-19(11-24(34)13-23)16-39(30(41)26-17-38-8-5-20(26)6-9-38)18-28(40)36-25-4-3-21-14-32(15-22(21)12-25)27-2-1-7-35-29(27)37-31(32)42;1-31(8-4-10-38(2)19-31)30(42)39(17-20-11-23(33)14-24(34)12-20)18-27(40)36-25-7-6-21-15-32(16-22(21)13-25)26-5-3-9-35-28(26)37-29(32)41;1-30(7-9-37(2)18-30)29(41)38(16-19-10-22(32)13-23(33)11-19)17-26(39)35-24-6-5-20-14-31(15-21(20)12-24)25-4-3-8-34-27(25)36-28(31)40;1-30(7-3-8-34-18-30)29(41)38(16-19-10-22(32)13-23(33)11-19)17-26(39)36-24-6-5-20-14-31(15-21(20)12-24)25-4-2-9-35-27(25)37-28(31)40;1-29(6-8-33-17-29)28(40)37(15-18-9-21(31)12-22(32)10-18)16-25(38)35-23-5-4-19-13-30(14-20(19)11-23)24-3-2-7-34-26(24)36-27(30)39/h1-4,7,10-13,20,26H,5-6,8-9,14-18H2,(H,36,40)(H,35,37,42);3,5-7,9,11-14H,4,8,10,15-19H2,1-2H3,(H,36,40)(H,35,37,41);3-6,8,10-13H,7,9,14-18H2,1-2H3,(H,35,39)(H,34,36,40);2,4-6,9-13,34H,3,7-8,14-18H2,1H3,(H,36,39)(H,35,37,40);2-5,7,9-12,33H,6,8,13-17H2,1H3,(H,35,38)(H,34,36,39)/t26?,32-;31?,32-;2*30?,31-;29?,30-/m11111/s1
InChIKeyNCOMJEQHHOZFAB-TXPPMIHLSA-N
MW2810.10 g/mol
LogP18.38
Rot. Bonds30

About N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 159741986) has the molecular formula C156H155F10N25O15 and a molecular weight of 2810.10 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID159741986
Molecular FormulaC156H155F10N25O15
Molecular Weight2810.10 g/mol
Exact Mass2808.20
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)CCCNC1.CC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)CCNC1.CN1CCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)C1.CN1CCCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)C1.O=C(CN(Cc1cc(F)cc(F)c1)C(=O)C1CN2CCC1CC2)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C32H31F2N5O3.C32H33F2N5O3.2C31H31F2N5O3.C30H29F2N5O3/c33-23-10-19(11-24(34)13-23)16-39(30(41)26-17-38-8-5-20(26)6-9-38)18-28(40)36-25-4-3-21-14-32(15-22(21)12-25)27-2-1-7-35-29(27)37-31(32)42;1-31(8-4-10-38(2)19-31)30(42)39(17-20-11-23(33)14-24(34)12-20)18-27(40)36-25-7-6-21-15-32(16-22(21)13-25)26-5-3-9-35-28(26)37-29(32)41;1-30(7-9-37(2)18-30)29(41)38(16-19-10-22(32)13-23(33)11-19)17-26(39)35-24-6-5-20-14-31(15-21(20)12-24)25-4-3-8-34-27(25)36-28(31)40;1-30(7-3-8-34-18-30)29(41)38(16-19-10-22(32)13-23(33)11-19)17-26(39)36-24-6-5-20-14-31(15-21(20)12-24)25-4-2-9-35-27(25)37-28(31)40;1-29(6-8-33-17-29)28(40)37(15-18-9-21(31)12-22(32)10-18)16-25(38)35-23-5-4-19-13-30(14-20(19)11-23)24-3-2-7-34-26(24)36-27(30)39/h1-4,7,10-13,20,26H,5-6,8-9,14-18H2,(H,36,40)(H,35,37,42);3,5-7,9,11-14H,4,8,10,15-19H2,1-2H3,(H,36,40)(H,35,37,41);3-6,8,10-13H,7,9,14-18H2,1-2H3,(H,35,39)(H,34,36,40);2,4-6,9-13,34H,3,7-8,14-18H2,1H3,(H,36,39)(H,35,37,40);2-5,7,9-12,33H,6,8,13-17H2,1H3,(H,35,38)(H,34,36,39)/t26?,32-;31?,32-;2*30?,31-;29?,30-/m11111/s1
InChIKeyNCOMJEQHHOZFAB-TXPPMIHLSA-N
XLogP18.38
TPSA490.78 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002810.10
LogP ≤ 518.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 159741986) is N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide is CC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)CCCNC1.CC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)CCNC1.CN1CCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)C1.CN1CCCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2cc(F)cc(F)c2)C1.O=C(CN(Cc1cc(F)cc(F)c1)C(=O)C1CN2CCC1CC2)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is NCOMJEQHHOZFAB-TXPPMIHLSA-N. The full InChI is InChI=1S/C32H31F2N5O3.C32H33F2N5O3.2C31H31F2N5O3.C30H29F2N5O3/c33-23-10-19(11-24(34)13-23)16-39(30(41)26-17-38-8-5-20(26)6-9-38)18-28(40)36-25-4-3-21-14-32(15-22(21)12-25)27-2-1-7-35-29(27)37-31(32)42;1-31(8-4-10-38(2)19-31)30(42)39(17-20-11-23(33)14-24(34)12-20)18-27(40)36-25-7-6-21-15-32(16-22(21)13-25)26-5-3-9-35-28(26)37-29(32)41;1-30(7-9-37(2)18-30)29(41)38(16-19-10-22(32)13-23(33)11-19)17-26(39)35-24-6-5-20-14-31(15-21(20)12-24)25-4-3-8-34-27(25)36-28(31)40;1-30(7-3-8-34-18-30)29(41)38(16-19-10-22(32)13-23(33)11-19)17-26(39)36-24-6-5-20-14-31(15-21(20)12-24)25-4-2-9-35-27(25)37-28(31)40;1-29(6-8-33-17-29)28(40)37(15-18-9-21(31)12-22(32)10-18)16-25(38)35-23-5-4-19-13-30(14-20(19)11-23)24-3-2-7-34-26(24)36-27(30)39/h1-4,7,10-13,20,26H,5-6,8-9,14-18H2,(H,36,40)(H,35,37,42);3,5-7,9,11-14H,4,8,10,15-19H2,1-2H3,(H,36,40)(H,35,37,41);3-6,8,10-13H,7,9,14-18H2,1-2H3,(H,35,39)(H,34,36,40);2,4-6,9-13,34H,3,7-8,14-18H2,1H3,(H,36,39)(H,35,37,40);2-5,7,9-12,33H,6,8,13-17H2,1H3,(H,35,38)(H,34,36,39)/t26?,32-;31?,32-;2*30?,31-;29?,30-/m11111/s1.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 2810.10 g/mol, XLogP of 18.38, 30 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-3-methyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide;N-[(3,5-difluorophenyl)methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 159741986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).