(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H23N5O3 — CID 166620884

IUPAC(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)CCc2n[nH]c(=O)[nH]2)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H23N5O3/c1-2-5-14-19(12-6-3-4-7-13(12)20-17(19)26)10-11-24(14)16(25)9-8-15-21-18(27)23-22-15/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,20,26)(H2,21,22,23,27)/t14-,19-/m0/s1
InChIKeyGXQJUYHQBHCNML-LIRRHRJNSA-N
MW369.43 g/mol
LogP1.32
Rot. Bonds5

About (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166620884) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166620884
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)CCc2n[nH]c(=O)[nH]2)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H23N5O3/c1-2-5-14-19(12-6-3-4-7-13(12)20-17(19)26)10-11-24(14)16(25)9-8-15-21-18(27)23-22-15/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,20,26)(H2,21,22,23,27)/t14-,19-/m0/s1
InChIKeyGXQJUYHQBHCNML-LIRRHRJNSA-N
XLogP1.32
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166620884) is (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)CCc2n[nH]c(=O)[nH]2)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is GXQJUYHQBHCNML-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-5-14-19(12-6-3-4-7-13(12)20-17(19)26)10-11-24(14)16(25)9-8-15-21-18(27)23-22-15/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,20,26)(H2,21,22,23,27)/t14-,19-/m0/s1.
What are the key properties of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166620884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).