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

C21H22FN5O2 — CID 53018550

IUPACcyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C21H22FN5O2/c1-26-17-10-11-27(21(28)14-4-2-3-5-14)12-16(17)18(24-26)20-23-19(25-29-20)13-6-8-15(22)9-7-13/h6-9,14H,2-5,10-12H2,1H3
InChIKeyWMKLKBVHVMALGP-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.35
Rot. Bonds3

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

cyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018550) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is cyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018550
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Namecyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C21H22FN5O2/c1-26-17-10-11-27(21(28)14-4-2-3-5-14)12-16(17)18(24-26)20-23-19(25-29-20)13-6-8-15(22)9-7-13/h6-9,14H,2-5,10-12H2,1H3
InChIKeyWMKLKBVHVMALGP-UHFFFAOYSA-N
XLogP3.35
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[3-(4-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 cyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018550) is cyclopentyl-[3-[3-(4-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 cyclopentyl-[3-[3-(4-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 cyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)C1CCCC1)C2.
What is the InChIKey of cyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is WMKLKBVHVMALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-26-17-10-11-27(21(28)14-4-2-3-5-14)12-16(17)18(24-26)20-23-19(25-29-20)13-6-8-15(22)9-7-13/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of cyclopentyl-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
cyclopentyl-[3-[3-(4-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 395.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[3-(4-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 53018550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).