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

C19H17N3O2 — CID 46831523

IUPAC4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2cccc3c2CCC3=O)n2nc(C3CC3)nc12
InChIInChI=1S/C19H17N3O2/c1-24-17-10-8-15(22-19(17)20-18(21-22)11-5-6-11)13-3-2-4-14-12(13)7-9-16(14)23/h2-4,8,10-11H,5-7,9H2,1H3
InChIKeyFPGDJOTYUNWKJK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.41
Rot. Bonds3

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

4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one (PubChem CID 46831523) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
PubChem CID46831523
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2cccc3c2CCC3=O)n2nc(C3CC3)nc12
InChIInChI=1S/C19H17N3O2/c1-24-17-10-8-15(22-19(17)20-18(21-22)11-5-6-11)13-3-2-4-14-12(13)7-9-16(14)23/h2-4,8,10-11H,5-7,9H2,1H3
InChIKeyFPGDJOTYUNWKJK-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

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one (CID 46831523) is 4-(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 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one is COc1ccc(-c2cccc3c2CCC3=O)n2nc(C3CC3)nc12.
What is the InChIKey of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
The InChIKey is FPGDJOTYUNWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-17-10-8-15(22-19(17)20-18(21-22)11-5-6-11)13-3-2-4-14-12(13)7-9-16(14)23/h2-4,8,10-11H,5-7,9H2,1H3.
What are the key properties of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one?
4-(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 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 46831523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).