3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H22N6O2 — CID 83275713

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCNC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1
InChIInChI=1S/C19H22N6O2/c1-3-20-19(26)25-10-9-15-14(12-25)17(22-24(15)2)18-21-16(23-27-18)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,26)
InChIKeyJWBXVNXPOYRVOK-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.15
Rot. Bonds4

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 83275713) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID83275713
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCNC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1
InChIInChI=1S/C19H22N6O2/c1-3-20-19(26)25-10-9-15-14(12-25)17(22-24(15)2)18-21-16(23-27-18)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,26)
InChIKeyJWBXVNXPOYRVOK-UHFFFAOYSA-N
XLogP2.15
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 83275713) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCNC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is JWBXVNXPOYRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-20-19(26)25-10-9-15-14(12-25)17(22-24(15)2)18-21-16(23-27-18)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,26).
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 83275713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).