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

C19H23F3N6O2 — CID 174253414

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc([C@@H]2C[C@H]2c2[nH]ncc2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H23F3N6O2/c1-10(16(29)28-6-4-18(2-3-18)5-7-28)24-17-27-26-15(30-17)12-8-11(12)14-13(9-23-25-14)19(20,21)22/h9-12H,2-8H2,1H3,(H,23,25)(H,24,27)/t10-,11+,12+/m0/s1
InChIKeyPSCDFEQNOVWGCU-QJPTWQEYSA-N
MW424.43 g/mol
LogP3.29
Rot. Bonds5

About (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 174253414) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID174253414
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc([C@@H]2C[C@H]2c2[nH]ncc2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H23F3N6O2/c1-10(16(29)28-6-4-18(2-3-18)5-7-28)24-17-27-26-15(30-17)12-8-11(12)14-13(9-23-25-14)19(20,21)22/h9-12H,2-8H2,1H3,(H,23,25)(H,24,27)/t10-,11+,12+/m0/s1
InChIKeyPSCDFEQNOVWGCU-QJPTWQEYSA-N
XLogP3.29
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 174253414) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@H](Nc1nnc([C@@H]2C[C@H]2c2[nH]ncc2C(F)(F)F)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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is PSCDFEQNOVWGCU-QJPTWQEYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-10(16(29)28-6-4-18(2-3-18)5-7-28)24-17-27-26-15(30-17)12-8-11(12)14-13(9-23-25-14)19(20,21)22/h9-12H,2-8H2,1H3,(H,23,25)(H,24,27)/t10-,11+,12+/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 424.43 g/mol, XLogP of 3.29, 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-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 174253414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).