(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C22H26N6O2 — CID 174250250

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc([C@@H]2C[C@H]2c2cccc3cn[nH]c23)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C22H26N6O2/c1-13(20(29)28-9-7-22(5-6-22)8-10-28)24-21-27-26-19(30-21)17-11-16(17)15-4-2-3-14-12-23-25-18(14)15/h2-4,12-13,16-17H,5-11H2,1H3,(H,23,25)(H,24,27)/t13-,16-,17+/m0/s1
InChIKeyBIGLZOBHDPHRCE-RRQGHBQHSA-N
MW406.49 g/mol
LogP3.42
Rot. Bonds5

About (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 174250250) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID174250250
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc([C@@H]2C[C@H]2c2cccc3cn[nH]c23)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C22H26N6O2/c1-13(20(29)28-9-7-22(5-6-22)8-10-28)24-21-27-26-19(30-21)17-11-16(17)15-4-2-3-14-12-23-25-18(14)15/h2-4,12-13,16-17H,5-11H2,1H3,(H,23,25)(H,24,27)/t13-,16-,17+/m0/s1
InChIKeyBIGLZOBHDPHRCE-RRQGHBQHSA-N
XLogP3.42
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-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 (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 174250250) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@H](Nc1nnc([C@@H]2C[C@H]2c2cccc3cn[nH]c23)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is BIGLZOBHDPHRCE-RRQGHBQHSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13(20(29)28-9-7-22(5-6-22)8-10-28)24-21-27-26-19(30-21)17-11-16(17)15-4-2-3-14-12-23-25-18(14)15/h2-4,12-13,16-17H,5-11H2,1H3,(H,23,25)(H,24,27)/t13-,16-,17+/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 174250250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).