N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide

C32H35N5O4 — CID 163373219

IUPACN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N(C)[C@@H](CC3CCCCC3)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccccc34)cc12
InChIInChI=1S/C32H35N5O4/c1-36(29(38)26-16-22-24(34-26)13-8-14-28(22)41-2)27(15-20-9-4-3-5-10-20)30(39)37-19-32(17-21(37)18-33)23-11-6-7-12-25(23)35-31(32)40/h6-8,11-14,16,20-21,27,34H,3-5,9-10,15,17,19H2,1-2H3,(H,35,40)/t21-,27-,32-/m0/s1
InChIKeyAASMRLNAGUEYGU-AKUOWQNMSA-N
MW553.66 g/mol
LogP4.60
Rot. Bonds6

About N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 163373219) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID163373219
Molecular FormulaC32H35N5O4
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC NameN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N(C)[C@@H](CC3CCCCC3)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccccc34)cc12
InChIInChI=1S/C32H35N5O4/c1-36(29(38)26-16-22-24(34-26)13-8-14-28(22)41-2)27(15-20-9-4-3-5-10-20)30(39)37-19-32(17-21(37)18-33)23-11-6-7-12-25(23)35-31(32)40/h6-8,11-14,16,20-21,27,34H,3-5,9-10,15,17,19H2,1-2H3,(H,35,40)/t21-,27-,32-/m0/s1
InChIKeyAASMRLNAGUEYGU-AKUOWQNMSA-N
XLogP4.60
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.66
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide with MolForge

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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]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide (CID 163373219) is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-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]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N(C)[C@@H](CC3CCCCC3)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccccc34)cc12.
What is the InChIKey of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is AASMRLNAGUEYGU-AKUOWQNMSA-N. The full InChI is InChI=1S/C32H35N5O4/c1-36(29(38)26-16-22-24(34-26)13-8-14-28(22)41-2)27(15-20-9-4-3-5-10-20)30(39)37-19-32(17-21(37)18-33)23-11-6-7-12-25(23)35-31(32)40/h6-8,11-14,16,20-21,27,34H,3-5,9-10,15,17,19H2,1-2H3,(H,35,40)/t21-,27-,32-/m0/s1.
What are the key properties of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 553.66 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 163373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).