N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C20H25F3N6O2 — CID 131682702

IUPACN-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(Cc1ncccn1)C(=O)C1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2
InChIInChI=1S/C20H25F3N6O2/c1-28(11-16-24-5-2-6-25-16)18(30)14-10-29(13-19(14)3-7-31-8-4-19)12-17-26-9-15(27-17)20(21,22)23/h2,5-6,9,14H,3-4,7-8,10-13H2,1H3,(H,26,27)
InChIKeyHEGGFGQFNZSZKJ-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 131682702) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID131682702
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC NameN-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(Cc1ncccn1)C(=O)C1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2
InChIInChI=1S/C20H25F3N6O2/c1-28(11-16-24-5-2-6-25-16)18(30)14-10-29(13-19(14)3-7-31-8-4-19)12-17-26-9-15(27-17)20(21,22)23/h2,5-6,9,14H,3-4,7-8,10-13H2,1H3,(H,26,27)
InChIKeyHEGGFGQFNZSZKJ-UHFFFAOYSA-N
XLogP2.11
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-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 N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 131682702) is N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CN(Cc1ncccn1)C(=O)C1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2.
What is the InChIKey of N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is HEGGFGQFNZSZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-28(11-16-24-5-2-6-25-16)18(30)14-10-29(13-19(14)3-7-31-8-4-19)12-17-26-9-15(27-17)20(21,22)23/h2,5-6,9,14H,3-4,7-8,10-13H2,1H3,(H,26,27).
What are the key properties of N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 131682702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).