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

C23H19F2N5O2 — CID 83275717

IUPAC[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C23H19F2N5O2/c1-29-19-9-10-30(23(31)15-7-8-17(24)18(25)12-15)13-16(19)21(27-29)22-26-20(28-32-22)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3
InChIKeyUVSLCRLMSUEZAK-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.54
Rot. Bonds4

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

[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone (PubChem CID 83275717) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
PubChem CID83275717
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C23H19F2N5O2/c1-29-19-9-10-30(23(31)15-7-8-17(24)18(25)12-15)13-16(19)21(27-29)22-26-20(28-32-22)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3
InChIKeyUVSLCRLMSUEZAK-UHFFFAOYSA-N
XLogP3.54
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone (CID 83275717) is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone is Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2.
What is the InChIKey of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is UVSLCRLMSUEZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-29-19-9-10-30(23(31)15-7-8-17(24)18(25)12-15)13-16(19)21(27-29)22-26-20(28-32-22)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3.
What are the key properties of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone?
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 435.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 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)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 83275717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).