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

C24H23FN6O2 — CID 87050091

IUPAC[4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1
InChIInChI=1S/C24H23FN6O2/c1-29(2)16-10-8-15(9-11-16)24(32)31-13-12-20-18(14-31)21(27-30(20)3)23-26-22(28-33-23)17-6-4-5-7-19(17)25/h4-11H,12-14H2,1-3H3
InChIKeyHXRJCEFMGAEBIF-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.54
Rot. Bonds4

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

[4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 87050091) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID87050091
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name[4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1
InChIInChI=1S/C24H23FN6O2/c1-29(2)16-10-8-15(9-11-16)24(32)31-13-12-20-18(14-31)21(27-30(20)3)23-26-22(28-33-23)17-6-4-5-7-19(17)25/h4-11H,12-14H2,1-3H3
InChIKeyHXRJCEFMGAEBIF-UHFFFAOYSA-N
XLogP3.54
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 87050091) is [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CN(C)c1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is HXRJCEFMGAEBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-29(2)16-10-8-15(9-11-16)24(32)31-13-12-20-18(14-31)21(27-30(20)3)23-26-22(28-33-23)17-6-4-5-7-19(17)25/h4-11H,12-14H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
[4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 446.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 87050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).