5,7-dichloro-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-indole-2-carboxamide

C28H27Cl2N5O3 — CID 163373060

IUPAC5,7-dichloro-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-indole-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C28H27Cl2N5O3/c1-15(2)8-23(34(3)25(36)22-10-16-9-17(29)11-20(30)24(16)32-22)26(37)35-14-28(12-18(35)13-31)19-6-4-5-7-21(19)33-27(28)38/h4-7,9-11,15,18,23,32H,8,12,14H2,1-3H3,(H,33,38)/t18-,23-,28-/m0/s1
InChIKeyQLEHOIBEYCRTGU-HPYKGQJFSA-N
MW552.46 g/mol
LogP4.98
Rot. Bonds5

About 5,7-dichloro-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-indole-2-carboxamide

5,7-dichloro-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-indole-2-carboxamide (PubChem CID 163373060) has the molecular formula C28H27Cl2N5O3 and a molecular weight of 552.46 g/mol. Its IUPAC name is 5,7-dichloro-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-indole-2-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-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-indole-2-carboxamide
PubChem CID163373060
Molecular FormulaC28H27Cl2N5O3
Molecular Weight552.46 g/mol
Exact Mass551.15
IUPAC Name5,7-dichloro-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-indole-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C28H27Cl2N5O3/c1-15(2)8-23(34(3)25(36)22-10-16-9-17(29)11-20(30)24(16)32-22)26(37)35-14-28(12-18(35)13-31)19-6-4-5-7-21(19)33-27(28)38/h4-7,9-11,15,18,23,32H,8,12,14H2,1-3H3,(H,33,38)/t18-,23-,28-/m0/s1
InChIKeyQLEHOIBEYCRTGU-HPYKGQJFSA-N
XLogP4.98
TPSA109.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,7-dichloro-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-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-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-indole-2-carboxamide?
The IUPAC name of 5,7-dichloro-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-indole-2-carboxamide (CID 163373060) is 5,7-dichloro-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-indole-2-carboxamide.
What is the SMILES notation for 5,7-dichloro-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-indole-2-carboxamide?
The canonical SMILES for 5,7-dichloro-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-indole-2-carboxamide is CC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1.
What is the InChIKey of 5,7-dichloro-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-indole-2-carboxamide?
The InChIKey is QLEHOIBEYCRTGU-HPYKGQJFSA-N. The full InChI is InChI=1S/C28H27Cl2N5O3/c1-15(2)8-23(34(3)25(36)22-10-16-9-17(29)11-20(30)24(16)32-22)26(37)35-14-28(12-18(35)13-31)19-6-4-5-7-21(19)33-27(28)38/h4-7,9-11,15,18,23,32H,8,12,14H2,1-3H3,(H,33,38)/t18-,23-,28-/m0/s1.
What are the key properties of 5,7-dichloro-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-indole-2-carboxamide?
5,7-dichloro-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-indole-2-carboxamide has a molecular weight of 552.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-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-indole-2-carboxamide is sourced from PubChem (CID 163373060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).