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

C24H22FN5O3 — CID 53018598

IUPAC[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c(C)c1
InChIInChI=1S/C24H22FN5O3/c1-14-11-17(32-3)7-8-18(14)24(31)30-10-9-20-19(13-30)21(27-29(20)2)23-26-22(28-33-23)15-5-4-6-16(25)12-15/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyJKIPUGHFDZWRCJ-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.79
Rot. Bonds4

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

[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 53018598) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID53018598
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c(C)c1
InChIInChI=1S/C24H22FN5O3/c1-14-11-17(32-3)7-8-18(14)24(31)30-10-9-20-19(13-30)21(27-29(20)2)23-26-22(28-33-23)15-5-4-6-16(25)12-15/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyJKIPUGHFDZWRCJ-UHFFFAOYSA-N
XLogP3.79
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone (CID 53018598) is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c(C)c1.
What is the InChIKey of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is JKIPUGHFDZWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-14-11-17(32-3)7-8-18(14)24(31)30-10-9-20-19(13-30)21(27-29(20)2)23-26-22(28-33-23)15-5-4-6-16(25)12-15/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone?
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 447.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 53018598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).