(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C22H25N5O4 — CID 134477842

IUPAC(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCC(c3noc(-c4ccc5cnn(C6COC6)c5c4)n3)CC2)CC1
InChIInChI=1S/C22H25N5O4/c1-29-22(6-7-22)21(28)26-8-4-14(5-9-26)19-24-20(31-25-19)15-2-3-16-11-23-27(18(16)10-15)17-12-30-13-17/h2-3,10-11,14,17H,4-9,12-13H2,1H3
InChIKeyUSNZVYNRDBRNHC-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.54
Rot. Bonds5

About (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 134477842) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID134477842
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCC(c3noc(-c4ccc5cnn(C6COC6)c5c4)n3)CC2)CC1
InChIInChI=1S/C22H25N5O4/c1-29-22(6-7-22)21(28)26-8-4-14(5-9-26)19-24-20(31-25-19)15-2-3-16-11-23-27(18(16)10-15)17-12-30-13-17/h2-3,10-11,14,17H,4-9,12-13H2,1H3
InChIKeyUSNZVYNRDBRNHC-UHFFFAOYSA-N
XLogP2.54
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 134477842) is (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is COC1(C(=O)N2CCC(c3noc(-c4ccc5cnn(C6COC6)c5c4)n3)CC2)CC1.
What is the InChIKey of (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is USNZVYNRDBRNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-29-22(6-7-22)21(28)26-8-4-14(5-9-26)19-24-20(31-25-19)15-2-3-16-11-23-27(18(16)10-15)17-12-30-13-17/h2-3,10-11,14,17H,4-9,12-13H2,1H3.
What are the key properties of (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134477842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).