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

C20H23N5O2 — CID 53018712

IUPAC1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-phenylbutan-1-one
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)CCCc2ccccc2)CC3)n1
InChIInChI=1S/C20H23N5O2/c1-14-21-20(27-23-14)19-16-13-25(12-11-17(16)24(2)22-19)18(26)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyHTQLZPJPOKNYMH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.69
Rot. Bonds5

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

1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-phenylbutan-1-one (PubChem CID 53018712) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 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]-4-phenylbutan-1-one.

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]-4-phenylbutan-1-one
PubChem CID53018712
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-phenylbutan-1-one
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)CCCc2ccccc2)CC3)n1
InChIInChI=1S/C20H23N5O2/c1-14-21-20(27-23-14)19-16-13-25(12-11-17(16)24(2)22-19)18(26)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyHTQLZPJPOKNYMH-UHFFFAOYSA-N
XLogP2.69
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.69
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]-4-phenylbutan-1-one 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]-4-phenylbutan-1-one?
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]-4-phenylbutan-1-one (CID 53018712) is 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-phenylbutan-1-one.
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]-4-phenylbutan-1-one?
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]-4-phenylbutan-1-one is Cc1noc(-c2nn(C)c3c2CN(C(=O)CCCc2ccccc2)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]-4-phenylbutan-1-one?
The InChIKey is HTQLZPJPOKNYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-21-20(27-23-14)19-16-13-25(12-11-17(16)24(2)22-19)18(26)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-13H2,1-2H3.
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]-4-phenylbutan-1-one?
1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-phenylbutan-1-one has a molecular weight of 365.44 g/mol, XLogP of 2.69, 5 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]-4-phenylbutan-1-one is sourced from PubChem (CID 53018712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).