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

C19H21N5O2 — CID 53018516

IUPAC1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)Cc2ccccc2C)CC3)n1
InChIInChI=1S/C19H21N5O2/c1-12-6-4-5-7-14(12)10-17(25)24-9-8-16-15(11-24)18(21-23(16)3)19-20-13(2)22-26-19/h4-7H,8-11H2,1-3H3
InChIKeyHZGGHKTWYPIUMB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.21
Rot. Bonds3

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

1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone (PubChem CID 53018516) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone
PubChem CID53018516
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)Cc2ccccc2C)CC3)n1
InChIInChI=1S/C19H21N5O2/c1-12-6-4-5-7-14(12)10-17(25)24-9-8-16-15(11-24)18(21-23(16)3)19-20-13(2)22-26-19/h4-7H,8-11H2,1-3H3
InChIKeyHZGGHKTWYPIUMB-UHFFFAOYSA-N
XLogP2.21
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone (CID 53018516) is 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone is Cc1noc(-c2nn(C)c3c2CN(C(=O)Cc2ccccc2C)CC3)n1.
What is the InChIKey of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is HZGGHKTWYPIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-6-4-5-7-14(12)10-17(25)24-9-8-16-15(11-24)18(21-23(16)3)19-20-13(2)22-26-19/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone?
1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 351.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 53018516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).