bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide

C89H97N15O9 — CID 165072346

IUPACbis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccccc34)cc12
InChIInChI=1S/2C30H33N5O3.C29H31N5O3/c2*1-18(2)13-26(33(4)27(36)24-14-21-19(3)9-8-11-23(21)32-24)28(37)35-17-30(15-20(35)16-31)22-10-6-7-12-25(22)34(5)29(30)38;1-17(2)12-25(33(4)26(35)24-13-20-18(3)8-7-11-22(20)31-24)27(36)34-16-29(14-19(34)15-30)21-9-5-6-10-23(21)32-28(29)37/h2*6-12,14,18,20,26,32H,13,15,17H2,1-5H3;5-11,13,17,19,25,31H,12,14,16H2,1-4H3,(H,32,37)/t2*20-,26-,30-;19-,25-,29-/m000/s1
InChIKeySZBMXQLRJIURFQ-HWKUPWBBSA-N
MW1520.85 g/mol
LogP11.98
Rot. Bonds15

About bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide

bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide (PubChem CID 165072346) has the molecular formula C89H97N15O9 and a molecular weight of 1520.85 g/mol. Its IUPAC name is bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Namebis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide
PubChem CID165072346
Molecular FormulaC89H97N15O9
Molecular Weight1520.85 g/mol
Exact Mass1519.76
IUPAC Namebis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccccc34)cc12
InChIInChI=1S/2C30H33N5O3.C29H31N5O3/c2*1-18(2)13-26(33(4)27(36)24-14-21-19(3)9-8-11-23(21)32-24)28(37)35-17-30(15-20(35)16-31)22-10-6-7-12-25(22)34(5)29(30)38;1-17(2)12-25(33(4)26(35)24-13-20-18(3)8-7-11-22(20)31-24)27(36)34-16-29(14-19(34)15-30)21-9-5-6-10-23(21)32-28(29)37/h2*6-12,14,18,20,26,32H,13,15,17H2,1-5H3;5-11,13,17,19,25,31H,12,14,16H2,1-4H3,(H,32,37)/t2*20-,26-,30-;19-,25-,29-/m000/s1
InChIKeySZBMXQLRJIURFQ-HWKUPWBBSA-N
XLogP11.98
TPSA310.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001520.85
LogP ≤ 511.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 163372970
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414269
N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-4,6,7-trifluoro-N-methyl-1H-indole-2-carboxamide
CID 172874963
N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 165414339
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide
CID 163373009
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-5-phenyl-1H-indole-2-carboxamide
CID 165414277
N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide
CID 167077535
N-[(2R)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 165044380
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 163373416
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide
CID 165414297
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-3-(4,6-difluoro-1H-indol-2-yl)-N-methyl-3-oxopropanamide
CID 168880683
N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopent-3-en-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 167075728

Frequently Asked Questions

What is the IUPAC name of bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide (CID 165072346) is bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide is Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccccc34)cc12.
What is the InChIKey of bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide?
The InChIKey is SZBMXQLRJIURFQ-HWKUPWBBSA-N. The full InChI is InChI=1S/2C30H33N5O3.C29H31N5O3/c2*1-18(2)13-26(33(4)27(36)24-14-21-19(3)9-8-11-23(21)32-24)28(37)35-17-30(15-20(35)16-31)22-10-6-7-12-25(22)34(5)29(30)38;1-17(2)12-25(33(4)26(35)24-13-20-18(3)8-7-11-22(20)31-24)27(36)34-16-29(14-19(34)15-30)21-9-5-6-10-23(21)32-28(29)37/h2*6-12,14,18,20,26,32H,13,15,17H2,1-5H3;5-11,13,17,19,25,31H,12,14,16H2,1-4H3,(H,32,37)/t2*20-,26-,30-;19-,25-,29-/m000/s1.
What are the key properties of bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide?
bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide has a molecular weight of 1520.85 g/mol, XLogP of 11.98, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 165072346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).