[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate

C23H20N4O4 — CID 98042178

IUPAC[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate
SMILESCOc1ccc(-c2noc(-c3cc4n(n3)CCC[C@H]4OC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O4/c1-29-17-11-9-15(10-12-17)21-24-22(31-26-21)18-14-19-20(8-5-13-27(19)25-18)30-23(28)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3/t20-/m1/s1
InChIKeyGRJYTSIZYDNJGC-HXUWFJFHSA-N
MW416.44 g/mol
LogP4.30
Rot. Bonds5

About [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate

[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate (PubChem CID 98042178) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate.

Molecular Properties

Compound Name[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate
PubChem CID98042178
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate
SMILESCOc1ccc(-c2noc(-c3cc4n(n3)CCC[C@H]4OC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O4/c1-29-17-11-9-15(10-12-17)21-24-22(31-26-21)18-14-19-20(8-5-13-27(19)25-18)30-23(28)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3/t20-/m1/s1
InChIKeyGRJYTSIZYDNJGC-HXUWFJFHSA-N
XLogP4.30
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 813034
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
(4-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908548
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 4293558
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 154786376
(6S)-6-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127817
(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 1456372
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770201
(4-methoxy-2-methylphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892032
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate?
The IUPAC name of [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate (CID 98042178) is [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate.
What is the SMILES notation for [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate?
The canonical SMILES for [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate is COc1ccc(-c2noc(-c3cc4n(n3)CCC[C@H]4OC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate?
The InChIKey is GRJYTSIZYDNJGC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-29-17-11-9-15(10-12-17)21-24-22(31-26-21)18-14-19-20(8-5-13-27(19)25-18)30-23(28)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3/t20-/m1/s1.
What are the key properties of [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate?
[(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate has a molecular weight of 416.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl] benzoate is sourced from PubChem (CID 98042178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).