(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

C21H23N5O2 — CID 171632433

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@@H](Nc1nnc(-c2cc3ccccc3cn2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H23N5O2/c1-14(19(27)26-10-8-21(6-7-21)9-11-26)23-20-25-24-18(28-20)17-12-15-4-2-3-5-16(15)13-22-17/h2-5,12-14H,6-11H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyZPGYTVMEZTZWDT-CQSZACIVSA-N
MW377.45 g/mol
LogP3.49
Rot. Bonds4

About (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (PubChem CID 171632433) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
PubChem CID171632433
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@@H](Nc1nnc(-c2cc3ccccc3cn2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H23N5O2/c1-14(19(27)26-10-8-21(6-7-21)9-11-26)23-20-25-24-18(28-20)17-12-15-4-2-3-5-16(15)13-22-17/h2-5,12-14H,6-11H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyZPGYTVMEZTZWDT-CQSZACIVSA-N
XLogP3.49
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (CID 171632433) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is C[C@@H](Nc1nnc(-c2cc3ccccc3cn2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The InChIKey is ZPGYTVMEZTZWDT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(19(27)26-10-8-21(6-7-21)9-11-26)23-20-25-24-18(28-20)17-12-15-4-2-3-5-16(15)13-22-17/h2-5,12-14H,6-11H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one has a molecular weight of 377.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 171632433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).