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

C24H22FN5O2 — CID 53018615

IUPAC(4-ethylphenyl)-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1
InChIInChI=1S/C24H22FN5O2/c1-3-15-8-10-16(11-9-15)24(31)30-13-12-20-18(14-30)21(27-29(20)2)23-26-22(28-32-23)17-6-4-5-7-19(17)25/h4-11H,3,12-14H2,1-2H3
InChIKeyQHAODFURWFITRR-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.04
Rot. Bonds4

About (4-ethylphenyl)-[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-ethylphenyl)-[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 53018615) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is (4-ethylphenyl)-[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-ethylphenyl)-[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 CID53018615
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name(4-ethylphenyl)-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1
InChIInChI=1S/C24H22FN5O2/c1-3-15-8-10-16(11-9-15)24(31)30-13-12-20-18(14-30)21(27-29(20)2)23-26-22(28-32-23)17-6-4-5-7-19(17)25/h4-11H,3,12-14H2,1-2H3
InChIKeyQHAODFURWFITRR-UHFFFAOYSA-N
XLogP4.04
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylphenyl)-[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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 22239024
CID 22239024
CID 136147416
CID 136147416
CID 162663246
CID 162663246
CID 2742654
CID 2742654
CID 42637004
CID 42637004
CID 42637062
CID 42637062
CID 42637065
CID 42637065
CID 42637282
CID 42637282
CID 42637355
CID 42637355
CID 42637500
CID 42637500
CID 42637982
CID 42637982
CID 91915857
CID 91915857

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[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-ethylphenyl)-[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 53018615) is (4-ethylphenyl)-[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-ethylphenyl)-[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-ethylphenyl)-[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 CCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1.
What is the InChIKey of (4-ethylphenyl)-[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 QHAODFURWFITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-3-15-8-10-16(11-9-15)24(31)30-13-12-20-18(14-30)21(27-29(20)2)23-26-22(28-32-23)17-6-4-5-7-19(17)25/h4-11H,3,12-14H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[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-ethylphenyl)-[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 431.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[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 53018615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).