N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C81H96F2N14O10 — CID 165035343

IUPACN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12.CCCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12.CCCN[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12
InChIInChI=1S/C30H34FN5O4.C30H32FN5O3.C21H30N4O3/c1-4-12-35(27(38)23-14-18-20(31)9-7-11-21(18)33-23)24(13-17(2)3)28(39)36-16-30(15-25(36)26(32)37)19-8-5-6-10-22(19)34-29(30)40;1-4-12-35(27(37)25-14-20-22(31)9-7-11-23(20)33-25)26(13-18(2)3)28(38)36-17-30(15-19(36)16-32)21-8-5-6-10-24(21)34-29(30)39;1-4-9-23-16(10-13(2)3)19(27)25-12-21(11-17(25)18(22)26)14-7-5-6-8-15(14)24-20(21)28/h5-11,14,17,24-25,33H,4,12-13,15-16H2,1-3H3,(H2,32,37)(H,34,40);5-11,14,18-19,26,33H,4,12-13,15,17H2,1-3H3,(H,34,39);5-8,13,16-17,23H,4,9-12H2,1-3H3,(H2,22,26)(H,24,28)/t24-,25-,30-;19-,26-,30-;16-,17-,21-/m000/s1
InChIKeyNHHUSDFYVSAIJJ-KLKVZNSOSA-N
MW1463.74 g/mol
LogP9.52
Rot. Bonds22

About N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-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]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 165035343) has the molecular formula C81H96F2N14O10 and a molecular weight of 1463.74 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID165035343
Molecular FormulaC81H96F2N14O10
Molecular Weight1463.74 g/mol
Exact Mass1462.74
IUPAC NameN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12.CCCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12.CCCN[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12
InChIInChI=1S/C30H34FN5O4.C30H32FN5O3.C21H30N4O3/c1-4-12-35(27(38)23-14-18-20(31)9-7-11-21(18)33-23)24(13-17(2)3)28(39)36-16-30(15-25(36)26(32)37)19-8-5-6-10-22(19)34-29(30)40;1-4-12-35(27(37)25-14-20-22(31)9-7-11-23(20)33-25)26(13-18(2)3)28(38)36-17-30(15-19(36)16-32)21-8-5-6-10-24(21)34-29(30)39;1-4-9-23-16(10-13(2)3)19(27)25-12-21(11-17(25)18(22)26)14-7-5-6-8-15(14)24-20(21)28/h5-11,14,17,24-25,33H,4,12-13,15-16H2,1-3H3,(H2,32,37)(H,34,40);5-11,14,18-19,26,33H,4,12-13,15,17H2,1-3H3,(H,34,39);5-8,13,16-17,23H,4,9-12H2,1-3H3,(H2,22,26)(H,24,28)/t24-,25-,30-;19-,26-,30-;16-,17-,21-/m000/s1
InChIKeyNHHUSDFYVSAIJJ-KLKVZNSOSA-N
XLogP9.52
TPSA342.43 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001463.74
LogP ≤ 59.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-5-methyl-1-oxohexan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide
CID 167158571
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-[(2S)-1-[(2'S,3R)-2'-cyano-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373593
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
benzyl N-[1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-propylcarbamate
CID 163373169
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'-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-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
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
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414336
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-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 163373589

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 165035343) is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CCCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12.CCCN(C(=O)c1cc2c(F)cccc2[nH]1)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12.CCCN[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12.
What is the InChIKey of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is NHHUSDFYVSAIJJ-KLKVZNSOSA-N. The full InChI is InChI=1S/C30H34FN5O4.C30H32FN5O3.C21H30N4O3/c1-4-12-35(27(38)23-14-18-20(31)9-7-11-21(18)33-23)24(13-17(2)3)28(39)36-16-30(15-25(36)26(32)37)19-8-5-6-10-22(19)34-29(30)40;1-4-12-35(27(37)25-14-20-22(31)9-7-11-23(20)33-25)26(13-18(2)3)28(38)36-17-30(15-19(36)16-32)21-8-5-6-10-24(21)34-29(30)39;1-4-9-23-16(10-13(2)3)19(27)25-12-21(11-17(25)18(22)26)14-7-5-6-8-15(14)24-20(21)28/h5-11,14,17,24-25,33H,4,12-13,15-16H2,1-3H3,(H2,32,37)(H,34,40);5-11,14,18-19,26,33H,4,12-13,15,17H2,1-3H3,(H,34,39);5-8,13,16-17,23H,4,9-12H2,1-3H3,(H2,22,26)(H,24,28)/t24-,25-,30-;19-,26-,30-;16-,17-,21-/m000/s1.
What are the key properties of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-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]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 1463.74 g/mol, XLogP of 9.52, 22 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide;(2'S,3R)-1'-[(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)-propylamino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'S,3R)-1'-[(2S)-4-methyl-2-(propylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 165035343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).