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

C21H18FN5O2S — CID 53018623

IUPAC1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
SMILESCn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C21H18FN5O2S/c1-26-17-8-9-27(18(28)11-13-5-4-10-30-13)12-15(17)19(24-26)21-23-20(25-29-21)14-6-2-3-7-16(14)22/h2-7,10H,8-9,11-12H2,1H3
InChIKeySGHIKKYLFRFJFE-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.47
Rot. Bonds4

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

1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone (PubChem CID 53018623) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
PubChem CID53018623
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
SMILESCn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C21H18FN5O2S/c1-26-17-8-9-27(18(28)11-13-5-4-10-30-13)12-15(17)19(24-26)21-23-20(25-29-21)14-6-2-3-7-16(14)22/h2-7,10H,8-9,11-12H2,1H3
InChIKeySGHIKKYLFRFJFE-UHFFFAOYSA-N
XLogP3.47
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone (CID 53018623) is 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone is Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The InChIKey is SGHIKKYLFRFJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-26-17-8-9-27(18(28)11-13-5-4-10-30-13)12-15(17)19(24-26)21-23-20(25-29-21)14-6-2-3-7-16(14)22/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone has a molecular weight of 423.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53018623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).