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

C20H25F3N6O2 — CID 131682259

IUPACN-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cnc(CNC(=O)C2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)nc1
InChIInChI=1S/C20H25F3N6O2/c1-13-6-24-16(25-7-13)9-27-18(30)14-10-29(12-19(14)2-4-31-5-3-19)11-17-26-8-15(28-17)20(21,22)23/h6-8,14H,2-5,9-12H2,1H3,(H,26,28)(H,27,30)
InChIKeyDNDWZSIYMGWUKY-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.07
Rot. Bonds5

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

N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 131682259) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID131682259
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cnc(CNC(=O)C2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)nc1
InChIInChI=1S/C20H25F3N6O2/c1-13-6-24-16(25-7-13)9-27-18(30)14-10-29(12-19(14)2-4-31-5-3-19)11-17-26-8-15(28-17)20(21,22)23/h6-8,14H,2-5,9-12H2,1H3,(H,26,28)(H,27,30)
InChIKeyDNDWZSIYMGWUKY-UHFFFAOYSA-N
XLogP2.07
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547373
(4R)-N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547376
(4S)-N-(3,3-dimethylbutyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547382
(4R)-N-(3,3-dimethylbutyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547385
(4S)-N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547415
(4R)-N-methyl-N-(pyrimidin-2-ylmethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547416
(4S)-N-(2,2,2-trifluoroethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547456
(4R)-N-(2,2,2-trifluoroethyl)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 129547458
(4,4-difluoroazepan-1-yl)-[(4S)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 129547471
(4,4-difluoroazepan-1-yl)-[(4R)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 129547478
1-[(4S)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carbonyl]piperidine-4-carboxamide
CID 129547534
1-[(4R)-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carbonyl]piperidine-4-carboxamide
CID 129547535

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 131682259) is N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1cnc(CNC(=O)C2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)nc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DNDWZSIYMGWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-13-6-24-16(25-7-13)9-27-18(30)14-10-29(12-19(14)2-4-31-5-3-19)11-17-26-8-15(28-17)20(21,22)23/h6-8,14H,2-5,9-12H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-[(5-methylpyrimidin-2-yl)methyl]-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 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)methyl]-2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 131682259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).