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

C23H20FN5O3 — CID 53018572

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1
InChIInChI=1S/C23H20FN5O3/c1-28-19-11-12-29(23(30)15-5-9-17(31-2)10-6-15)13-18(19)20(26-28)22-25-21(27-32-22)14-3-7-16(24)8-4-14/h3-10H,11-13H2,1-2H3
InChIKeyMVZAUHVBAKWGOQ-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.48
Rot. Bonds4

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

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 53018572) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
PubChem CID53018572
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1
InChIInChI=1S/C23H20FN5O3/c1-28-19-11-12-29(23(30)15-5-9-17(31-2)10-6-15)13-18(19)20(26-28)22-25-21(27-32-22)14-3-7-16(24)8-4-14/h3-10H,11-13H2,1-2H3
InChIKeyMVZAUHVBAKWGOQ-UHFFFAOYSA-N
XLogP3.48
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)pyridin-2-yl)piperazine
CID 67377767
1-[2-[3-[[3-[3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenoxy]ethyl]piperidin-4-ol
CID 141467461
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
5-(2,5-Difluorophenyl)-3-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazole
CID 91891563
5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 16025912
tert-butyl N-[[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637432
4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-[4-(trifluoromethoxy)benzoyl]piperidine
CID 91891807
1-(3-Fluoro-4-methoxybenzoyl)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91908530
3-(3-{4-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]phenoxy}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
CID 91905415
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)phenoxy]azetidin-1-YL}propan-1-one
CID 91905492
5-(2-Ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 25110168
2-(4-ethoxyphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372882

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone (CID 53018572) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MVZAUHVBAKWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-28-19-11-12-29(23(30)15-5-9-17(31-2)10-6-15)13-18(19)20(26-28)22-25-21(27-32-22)14-3-7-16(24)8-4-14/h3-10H,11-13H2,1-2H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 433.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53018572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).