5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one

C19H17N5O2 — CID 139424043

IUPAC5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one
SMILESO=C1Nc2ccccc2C12COCC(n1cc(-c3ccccn3)nn1)C2
InChIInChI=1S/C19H17N5O2/c25-18-19(14-5-1-2-6-15(14)21-18)9-13(11-26-12-19)24-10-17(22-23-24)16-7-3-4-8-20-16/h1-8,10,13H,9,11-12H2,(H,21,25)
InChIKeyFZELANLRDYTKFI-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.19
Rot. Bonds2

About 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one

5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one (PubChem CID 139424043) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one.

Molecular Properties

Compound Name5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one
PubChem CID139424043
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one
SMILESO=C1Nc2ccccc2C12COCC(n1cc(-c3ccccn3)nn1)C2
InChIInChI=1S/C19H17N5O2/c25-18-19(14-5-1-2-6-15(14)21-18)9-13(11-26-12-19)24-10-17(22-23-24)16-7-3-4-8-20-16/h1-8,10,13H,9,11-12H2,(H,21,25)
InChIKeyFZELANLRDYTKFI-UHFFFAOYSA-N
XLogP2.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one?
The IUPAC name of 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one (CID 139424043) is 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one.
What is the SMILES notation for 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one?
The canonical SMILES for 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one is O=C1Nc2ccccc2C12COCC(n1cc(-c3ccccn3)nn1)C2.
What is the InChIKey of 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one?
The InChIKey is FZELANLRDYTKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18-19(14-5-1-2-6-15(14)21-18)9-13(11-26-12-19)24-10-17(22-23-24)16-7-3-4-8-20-16/h1-8,10,13H,9,11-12H2,(H,21,25).
What are the key properties of 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one?
5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one has a molecular weight of 347.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-pyridin-2-yltriazol-1-yl)spiro[1H-indole-3,3'-oxane]-2-one is sourced from PubChem (CID 139424043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).