3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole

C19H20FN5O3S — CID 53018948

IUPAC3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(C3CC3)no2)c2c1CCN(S(=O)(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C19H20FN5O3S/c1-24-16-7-8-25(29(26,27)11-12-3-2-4-14(20)9-12)10-15(16)17(22-24)19-21-18(23-28-19)13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyRHYMOEBQHCDYTB-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.37
Rot. Bonds5

About 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole (PubChem CID 53018948) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
PubChem CID53018948
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(C3CC3)no2)c2c1CCN(S(=O)(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C19H20FN5O3S/c1-24-16-7-8-25(29(26,27)11-12-3-2-4-14(20)9-12)10-15(16)17(22-24)19-21-18(23-28-19)13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyRHYMOEBQHCDYTB-UHFFFAOYSA-N
XLogP2.37
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole (CID 53018948) is 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole is Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(S(=O)(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RHYMOEBQHCDYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-24-16-7-8-25(29(26,27)11-12-3-2-4-14(20)9-12)10-15(16)17(22-24)19-21-18(23-28-19)13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3.
What are the key properties of 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole has a molecular weight of 417.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53018948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).