[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

C21H18N6O2 — CID 53018753

IUPAC[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C21H18N6O2/c1-26-17-10-12-27(21(28)16-9-5-6-11-22-16)13-15(17)18(24-26)20-23-19(25-29-20)14-7-3-2-4-8-14/h2-9,11H,10,12-13H2,1H3
InChIKeyYRJHTWMUNXJRDW-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.73
Rot. Bonds3

About [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (PubChem CID 53018753) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
PubChem CID53018753
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C21H18N6O2/c1-26-17-10-12-27(21(28)16-9-5-6-11-22-16)13-15(17)18(24-26)20-23-19(25-29-20)14-7-3-2-4-8-14/h2-9,11H,10,12-13H2,1H3
InChIKeyYRJHTWMUNXJRDW-UHFFFAOYSA-N
XLogP2.73
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (CID 53018753) is [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The InChIKey is YRJHTWMUNXJRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-26-17-10-12-27(21(28)16-9-5-6-11-22-16)13-15(17)18(24-26)20-23-19(25-29-20)14-7-3-2-4-8-14/h2-9,11H,10,12-13H2,1H3.
What are the key properties of [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 386.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53018753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).