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

C23H20FN5O2 — CID 53018502

IUPAC(3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1F
InChIInChI=1S/C23H20FN5O2/c1-14-8-9-16(12-18(14)24)23(30)29-11-10-19-17(13-29)20(26-28(19)2)22-25-21(27-31-22)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyWTSXVZKXNHCMTC-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.78
Rot. Bonds3

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

(3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018502) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018502
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name(3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1F
InChIInChI=1S/C23H20FN5O2/c1-14-8-9-16(12-18(14)24)23(30)29-11-10-19-17(13-29)20(26-28(19)2)22-25-21(27-31-22)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyWTSXVZKXNHCMTC-UHFFFAOYSA-N
XLogP3.78
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(4-bromo-1-ethyl-3-methyl-1H-pyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2742607
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
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 (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018502) is (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is WTSXVZKXNHCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-8-9-16(12-18(14)24)23(30)29-11-10-19-17(13-29)20(26-28(19)2)22-25-21(27-31-22)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 417.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53018502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).