2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide

C13H17F3N4O — CID 163295689

IUPAC2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESNC(=O)C1CCNC2(C1)CC2Cc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)9-6-18-10(20-9)3-8-5-12(8)4-7(11(17)21)1-2-19-12/h6-8,19H,1-5H2,(H2,17,21)(H,18,20)
InChIKeyGJARDOVSIGXSEN-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.21
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide

2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295689) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID163295689
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESNC(=O)C1CCNC2(C1)CC2Cc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)9-6-18-10(20-9)3-8-5-12(8)4-7(11(17)21)1-2-19-12/h6-8,19H,1-5H2,(H2,17,21)(H,18,20)
InChIKeyGJARDOVSIGXSEN-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295689) is 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide is NC(=O)C1CCNC2(C1)CC2Cc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is GJARDOVSIGXSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)9-6-18-10(20-9)3-8-5-12(8)4-7(11(17)21)1-2-19-12/h6-8,19H,1-5H2,(H2,17,21)(H,18,20).
What are the key properties of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).