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

C23H20FN5O2 — CID 53011808

IUPAC2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C23H20FN5O2/c1-28-19-11-12-29(20(30)13-15-7-9-17(24)10-8-15)14-18(19)21(26-28)23-25-22(27-31-23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyVHUMOESHAKPTGT-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 53011808) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID53011808
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C23H20FN5O2/c1-28-19-11-12-29(20(30)13-15-7-9-17(24)10-8-15)14-18(19)21(26-28)23-25-22(27-31-23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyVHUMOESHAKPTGT-UHFFFAOYSA-N
XLogP3.40
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
1,2,4-Oxadiazole-3-methanamine, 5-[2-(phenylmethyl)-2H-indazol-3-yl]-
CID 42637004
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
(5-(1-Phenethyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637282
(5-(2-Phenethyl-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637355
tert-butyl N-[[5-[1-[(2,3,5-trifluorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637500
Tert-butyl(5-(1-(3-methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 42637982
1-(3-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91915857

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 53011808) is 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is VHUMOESHAKPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-28-19-11-12-29(20(30)13-15-7-9-17(24)10-8-15)14-18(19)21(26-28)23-25-22(27-31-23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 417.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 53011808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).