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

C19H21ClN6O2 — CID 171632540

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc(-c2n[nH]c3cccc(Cl)c23)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H21ClN6O2/c1-11(17(27)26-9-7-19(5-6-19)8-10-26)21-18-25-24-16(28-18)15-14-12(20)3-2-4-13(14)22-23-15/h2-4,11H,5-10H2,1H3,(H,21,25)(H,22,23)/t11-/m1/s1
InChIKeyYALFXNYHIATDMG-LLVKDONJSA-N
MW400.87 g/mol
LogP3.47
Rot. Bonds4

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

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171632540) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-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-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171632540
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc(-c2n[nH]c3cccc(Cl)c23)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H21ClN6O2/c1-11(17(27)26-9-7-19(5-6-19)8-10-26)21-18-25-24-16(28-18)15-14-12(20)3-2-4-13(14)22-23-15/h2-4,11H,5-10H2,1H3,(H,21,25)(H,22,23)/t11-/m1/s1
InChIKeyYALFXNYHIATDMG-LLVKDONJSA-N
XLogP3.47
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-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-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171632540) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-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-(4-chloro-1H-indazol-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-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@@H](Nc1nnc(-c2n[nH]c3cccc(Cl)c23)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is YALFXNYHIATDMG-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-11(17(27)26-9-7-19(5-6-19)8-10-26)21-18-25-24-16(28-18)15-14-12(20)3-2-4-13(14)22-23-15/h2-4,11H,5-10H2,1H3,(H,21,25)(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 400.87 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 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-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171632540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).