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

C24H23N5O2 — CID 53018771

IUPAC1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H23N5O2/c1-28-20-14-15-29(21(30)13-12-17-8-4-2-5-9-17)16-19(20)22(26-28)24-25-23(27-31-24)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyDRDLRAJYNBQJKQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.65
Rot. Bonds5

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

1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one (PubChem CID 53018771) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
PubChem CID53018771
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H23N5O2/c1-28-20-14-15-29(21(30)13-12-17-8-4-2-5-9-17)16-19(20)22(26-28)24-25-23(27-31-24)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyDRDLRAJYNBQJKQ-UHFFFAOYSA-N
XLogP3.65
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one (CID 53018771) is 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)CCc1ccccc1)C2.
What is the InChIKey of 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
The InChIKey is DRDLRAJYNBQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28-20-14-15-29(21(30)13-12-17-8-4-2-5-9-17)16-19(20)22(26-28)24-25-23(27-31-24)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3.
What are the key properties of 1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one has a molecular weight of 413.48 g/mol, XLogP of 3.65, 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-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 53018771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).