N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C32H35N5O6 — CID 165414254

IUPACN-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(CC3C(=O)C(=O)NC3CC3)C(=O)Nc3ccccc34)cc12
InChIInChI=1S/C32H35N5O6/c1-17(2)13-24(35-28(39)23-14-19-21(34-23)9-6-10-26(19)43-3)30(41)37-16-32(20-7-4-5-8-22(20)36-31(32)42)15-25(37)27(38)29(40)33-18-11-12-18/h4-10,14,17-18,24-25,34H,11-13,15-16H2,1-3H3,(H,33,40)(H,35,39)(H,36,42)/t24-,25?,32-/m0/s1
InChIKeyOYEOCKYUCQUKMH-TUNMJWJMSA-N
MW585.66 g/mol
LogP2.66
Rot. Bonds9

About N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 165414254) has the molecular formula C32H35N5O6 and a molecular weight of 585.66 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID165414254
Molecular FormulaC32H35N5O6
Molecular Weight585.66 g/mol
Exact Mass585.26
IUPAC NameN-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(CC3C(=O)C(=O)NC3CC3)C(=O)Nc3ccccc34)cc12
InChIInChI=1S/C32H35N5O6/c1-17(2)13-24(35-28(39)23-14-19-21(34-23)9-6-10-26(19)43-3)30(41)37-16-32(20-7-4-5-8-22(20)36-31(32)42)15-25(37)27(38)29(40)33-18-11-12-18/h4-10,14,17-18,24-25,34H,11-13,15-16H2,1-3H3,(H,33,40)(H,35,39)(H,36,42)/t24-,25?,32-/m0/s1
InChIKeyOYEOCKYUCQUKMH-TUNMJWJMSA-N
XLogP2.66
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.66
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 165414254) is N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(CC3C(=O)C(=O)NC3CC3)C(=O)Nc3ccccc34)cc12.
What is the InChIKey of N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is OYEOCKYUCQUKMH-TUNMJWJMSA-N. The full InChI is InChI=1S/C32H35N5O6/c1-17(2)13-24(35-28(39)23-14-19-21(34-23)9-6-10-26(19)43-3)30(41)37-16-32(20-7-4-5-8-22(20)36-31(32)42)15-25(37)27(38)29(40)33-18-11-12-18/h4-10,14,17-18,24-25,34H,11-13,15-16H2,1-3H3,(H,33,40)(H,35,39)(H,36,42)/t24-,25?,32-/m0/s1.
What are the key properties of N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 585.66 g/mol, XLogP of 2.66, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 165414254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).