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

C18H19N5O2 — CID 53018523

IUPAC[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)c2ccccc2C)CC3)n1
InChIInChI=1S/C18H19N5O2/c1-11-6-4-5-7-13(11)18(24)23-9-8-15-14(10-23)16(20-22(15)3)17-19-12(2)21-25-17/h4-7H,8-10H2,1-3H3
InChIKeyCCGCODKNZSLWBP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds2

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

[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone (PubChem CID 53018523) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
PubChem CID53018523
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)c2ccccc2C)CC3)n1
InChIInChI=1S/C18H19N5O2/c1-11-6-4-5-7-13(11)18(24)23-9-8-15-14(10-23)16(20-22(15)3)17-19-12(2)21-25-17/h4-7H,8-10H2,1-3H3
InChIKeyCCGCODKNZSLWBP-UHFFFAOYSA-N
XLogP2.29
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The IUPAC name of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone (CID 53018523) is [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone is Cc1noc(-c2nn(C)c3c2CN(C(=O)c2ccccc2C)CC3)n1.
What is the InChIKey of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The InChIKey is CCGCODKNZSLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-6-4-5-7-13(11)18(24)23-9-8-15-14(10-23)16(20-22(15)3)17-19-12(2)21-25-17/h4-7H,8-10H2,1-3H3.
What are the key properties of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 53018523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).