N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide

C32H42N6O5 — CID 167446132

IUPACN-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide
SMILESCN(C(=O)C1(NC(=O)N2CCOCC2)CC1C1CC1)[C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C32H42N6O5/c1-30(2,3)17-25(26(39)38-19-31(15-21(38)18-33)22-7-5-6-8-24(22)34-27(31)40)36(4)28(41)32(16-23(32)20-9-10-20)35-29(42)37-11-13-43-14-12-37/h5-8,20-21,23,25H,9-17,19H2,1-4H3,(H,34,40)(H,35,42)/t21-,23?,25-,31-,32?/m0/s1
InChIKeyMATKUFAAZZDEBC-SUMGXUCRSA-N
MW590.73 g/mol
LogP2.47
Rot. Bonds6

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

N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide (PubChem CID 167446132) has the molecular formula C32H42N6O5 and a molecular weight of 590.73 g/mol. Its IUPAC name is N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide
PubChem CID167446132
Molecular FormulaC32H42N6O5
Molecular Weight590.73 g/mol
Exact Mass590.32
IUPAC NameN-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide
SMILESCN(C(=O)C1(NC(=O)N2CCOCC2)CC1C1CC1)[C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C32H42N6O5/c1-30(2,3)17-25(26(39)38-19-31(15-21(38)18-33)22-7-5-6-8-24(22)34-27(31)40)36(4)28(41)32(16-23(32)20-9-10-20)35-29(42)37-11-13-43-14-12-37/h5-8,20-21,23,25H,9-17,19H2,1-4H3,(H,34,40)(H,35,42)/t21-,23?,25-,31-,32?/m0/s1
InChIKeyMATKUFAAZZDEBC-SUMGXUCRSA-N
XLogP2.47
TPSA135.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.73
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648411
US11339170, Example 38
CID 165112205
US11339170, Example 39
CID 165112206
US11325916, Example 8
CID 164885438
US11325916, Example 15
CID 164885444
US11325916, Example 33
CID 164885463
US11325916, Example 52
CID 164885482
US11325916, Example 68
CID 164885496
US11325916, Example 69
CID 164885497
US11325916, Example 73
CID 164885501
US11325916, Example 75
CID 164885503
US11325916, Example 77
CID 164885505

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide (CID 167446132) is N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide is CN(C(=O)C1(NC(=O)N2CCOCC2)CC1C1CC1)[C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12.
What is the InChIKey of N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide?
The InChIKey is MATKUFAAZZDEBC-SUMGXUCRSA-N. The full InChI is InChI=1S/C32H42N6O5/c1-30(2,3)17-25(26(39)38-19-31(15-21(38)18-33)22-7-5-6-8-24(22)34-27(31)40)36(4)28(41)32(16-23(32)20-9-10-20)35-29(42)37-11-13-43-14-12-37/h5-8,20-21,23,25H,9-17,19H2,1-4H3,(H,34,40)(H,35,42)/t21-,23?,25-,31-,32?/m0/s1.
What are the key properties of N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide?
N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide has a molecular weight of 590.73 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-methylcarbamoyl]-2-cyclopropylcyclopropyl]morpholine-4-carboxamide is sourced from PubChem (CID 167446132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).