N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide

C18H16F4N6O2 — CID 164869471

IUPACN-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESCn1cnnc1C(F)C1(c2cccc(NC(=O)c3ncc(C(F)(F)F)[nH]3)c2)COC1
InChIInChI=1S/C18H16F4N6O2/c1-28-9-24-27-15(28)13(19)17(7-30-8-17)10-3-2-4-11(5-10)25-16(29)14-23-6-12(26-14)18(20,21)22/h2-6,9,13H,7-8H2,1H3,(H,23,26)(H,25,29)
InChIKeyLLTXLHCDOFVYSE-UHFFFAOYSA-N
MW424.36 g/mol
LogP2.79
Rot. Bonds5

About N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide

N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide (PubChem CID 164869471) has the molecular formula C18H16F4N6O2 and a molecular weight of 424.36 g/mol. Its IUPAC name is N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
PubChem CID164869471
Molecular FormulaC18H16F4N6O2
Molecular Weight424.36 g/mol
Exact Mass424.13
IUPAC NameN-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESCn1cnnc1C(F)C1(c2cccc(NC(=O)c3ncc(C(F)(F)F)[nH]3)c2)COC1
InChIInChI=1S/C18H16F4N6O2/c1-28-9-24-27-15(28)13(19)17(7-30-8-17)10-3-2-4-11(5-10)25-16(29)14-23-6-12(26-14)18(20,21)22/h2-6,9,13H,7-8H2,1H3,(H,23,26)(H,25,29)
InChIKeyLLTXLHCDOFVYSE-UHFFFAOYSA-N
XLogP2.79
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 139349623
N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 139349848
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 139349861
6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 139350629
2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172234254
(R)-1-methyl-N-(3-(1-(4-methyl-4H-1,2,4-triazol-3-yl)propan-2-yl)phenyl)-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 164869400
N-(3-(3-((4-methyl-4H-1,2,4-triazol-3-yl)methyl)oxetan-3-yl)phenyl)-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 164869410
(R)-5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-(3-(1-(4-methyl-4H-1,2,4-triazol-3-yl)propan-2-yl)phenyl)-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 164869469
N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 139349865
6-[(3-fluoropyrrolidin-1-yl)methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 139350630
N-[[3-(difluoromethyl)-2-pyridinyl]methyl]-3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 166078756
2-[3-[3-[(4-Methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-pyrrolidin-3-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079334

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide (CID 164869471) is N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide is Cn1cnnc1C(F)C1(c2cccc(NC(=O)c3ncc(C(F)(F)F)[nH]3)c2)COC1.
What is the InChIKey of N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The InChIKey is LLTXLHCDOFVYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N6O2/c1-28-9-24-27-15(28)13(19)17(7-30-8-17)10-3-2-4-11(5-10)25-16(29)14-23-6-12(26-14)18(20,21)22/h2-6,9,13H,7-8H2,1H3,(H,23,26)(H,25,29).
What are the key properties of N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide has a molecular weight of 424.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 164869471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).