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

C24H22FN5O2 — CID 53018579

IUPAC(4-ethylphenyl)-[3-[3-(3-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(-c5cccc(F)c5)no4)nn3C)C2)cc1
InChIInChI=1S/C24H22FN5O2/c1-3-15-7-9-16(10-8-15)24(31)30-12-11-20-19(14-30)21(27-29(20)2)23-26-22(28-32-23)17-5-4-6-18(25)13-17/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyRLYPMXZQIBGIID-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.04
Rot. Bonds4

About (4-ethylphenyl)-[3-[3-(3-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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018579) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is (4-ethylphenyl)-[3-[3-(3-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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018579
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name(4-ethylphenyl)-[3-[3-(3-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(-c5cccc(F)c5)no4)nn3C)C2)cc1
InChIInChI=1S/C24H22FN5O2/c1-3-15-7-9-16(10-8-15)24(31)30-12-11-20-19(14-30)21(27-29(20)2)23-26-22(28-32-23)17-5-4-6-18(25)13-17/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyRLYPMXZQIBGIID-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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[3-[3-(3-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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018579) is (4-ethylphenyl)-[3-[3-(3-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-(3-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-(3-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(-c5cccc(F)c5)no4)nn3C)C2)cc1.
What is the InChIKey of (4-ethylphenyl)-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is RLYPMXZQIBGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-3-15-7-9-16(10-8-15)24(31)30-12-11-20-19(14-30)21(27-29(20)2)23-26-22(28-32-23)17-5-4-6-18(25)13-17/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[3-[3-(3-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-(3-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-(3-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 53018579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).