7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione

C23H22F2N6O3 — CID 163283198

IUPAC7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCC(C)N1CC2(C1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1ccccc1
InChIInChI=1S/C23H22F2N6O3/c1-14(2)29-12-23(13-29)21(32)30(22(33)31(23)17-6-4-3-5-7-17)11-16-9-8-15(10-26-16)19-27-28-20(34-19)18(24)25/h3-10,14,18H,11-13H2,1-2H3
InChIKeyGGBXNZAVWDCZRS-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.50
Rot. Bonds6

About 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione

7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione (PubChem CID 163283198) has the molecular formula C23H22F2N6O3 and a molecular weight of 468.46 g/mol. Its IUPAC name is 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione
PubChem CID163283198
Molecular FormulaC23H22F2N6O3
Molecular Weight468.46 g/mol
Exact Mass468.17
IUPAC Name7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCC(C)N1CC2(C1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1ccccc1
InChIInChI=1S/C23H22F2N6O3/c1-14(2)29-12-23(13-29)21(32)30(22(33)31(23)17-6-4-3-5-7-17)11-16-9-8-15(10-26-16)19-27-28-20(34-19)18(24)25/h3-10,14,18H,11-13H2,1-2H3
InChIKeyGGBXNZAVWDCZRS-UHFFFAOYSA-N
XLogP3.50
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione (CID 163283198) is 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione is CC(C)N1CC2(C1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1ccccc1.
What is the InChIKey of 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The InChIKey is GGBXNZAVWDCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O3/c1-14(2)29-12-23(13-29)21(32)30(22(33)31(23)17-6-4-3-5-7-17)11-16-9-8-15(10-26-16)19-27-28-20(34-19)18(24)25/h3-10,14,18H,11-13H2,1-2H3.
What are the key properties of 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione?
7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione has a molecular weight of 468.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-phenyl-2-propan-2-yl-2,5,7-triazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 163283198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).