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

C19H20FN5O3 — CID 53018779

IUPAC1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1
InChIInChI=1S/C19H20FN5O3/c1-24-15-7-9-25(16(26)8-10-27-2)11-14(15)17(22-24)19-21-18(23-28-19)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyBGEJWDROKNGITR-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.20
Rot. Bonds5

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

1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one (PubChem CID 53018779) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
PubChem CID53018779
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1
InChIInChI=1S/C19H20FN5O3/c1-24-15-7-9-25(16(26)8-10-27-2)11-14(15)17(22-24)19-21-18(23-28-19)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyBGEJWDROKNGITR-UHFFFAOYSA-N
XLogP2.20
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one (CID 53018779) is 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1.
What is the InChIKey of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The InChIKey is BGEJWDROKNGITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-24-15-7-9-25(16(26)8-10-27-2)11-14(15)17(22-24)19-21-18(23-28-19)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one has a molecular weight of 385.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 53018779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).