1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H23N5O — CID 154740959

IUPAC1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCn1c(C(C)C)nnc1N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H23N5O/c1-4-23-15(12(2)3)20-21-17(23)22-10-9-18(11-22)13-7-5-6-8-14(13)19-16(18)24/h5-8,12H,4,9-11H2,1-3H3,(H,19,24)
InChIKeyDACZCKWIWVFRMU-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.52
Rot. Bonds3

About 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 154740959) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID154740959
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCn1c(C(C)C)nnc1N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H23N5O/c1-4-23-15(12(2)3)20-21-17(23)22-10-9-18(11-22)13-7-5-6-8-14(13)19-16(18)24/h5-8,12H,4,9-11H2,1-3H3,(H,19,24)
InChIKeyDACZCKWIWVFRMU-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 154740959) is 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CCn1c(C(C)C)nnc1N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DACZCKWIWVFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-23-15(12(2)3)20-21-17(23)22-10-9-18(11-22)13-7-5-6-8-14(13)19-16(18)24/h5-8,12H,4,9-11H2,1-3H3,(H,19,24).
What are the key properties of 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 325.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 154740959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).