5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one

C19H17N3O2 — CID 46831224

IUPAC5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCC3=O)n2nc(C3CC3)nc12
InChIInChI=1S/C19H17N3O2/c1-24-17-9-7-15(22-19(17)20-18(21-22)11-2-3-11)13-4-6-14-12(10-13)5-8-16(14)23/h4,6-7,9-11H,2-3,5,8H2,1H3
InChIKeyBBWOFZWEQZLMPY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.41
Rot. Bonds3

About 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one

5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one (PubChem CID 46831224) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
PubChem CID46831224
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCC3=O)n2nc(C3CC3)nc12
InChIInChI=1S/C19H17N3O2/c1-24-17-9-7-15(22-19(17)20-18(21-22)11-2-3-11)13-4-6-14-12(10-13)5-8-16(14)23/h4,6-7,9-11H,2-3,5,8H2,1H3
InChIKeyBBWOFZWEQZLMPY-UHFFFAOYSA-N
XLogP3.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one (CID 46831224) is 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one is COc1ccc(-c2ccc3c(c2)CCC3=O)n2nc(C3CC3)nc12.
What is the InChIKey of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
The InChIKey is BBWOFZWEQZLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-17-9-7-15(22-19(17)20-18(21-22)11-2-3-11)13-4-6-14-12(10-13)5-8-16(14)23/h4,6-7,9-11H,2-3,5,8H2,1H3.
What are the key properties of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one has a molecular weight of 319.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 46831224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).