5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide

C24H28F3N7O — CID 164869469

IUPAC5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)c(CN3CCC4(CC4)C3)[nH]2)c1
InChIInChI=1S/C24H28F3N7O/c1-15(10-19-32-28-14-33(19)2)16-4-3-5-17(11-16)29-22(35)21-30-18(20(31-21)24(25,26)27)12-34-9-8-23(13-34)6-7-23/h3-5,11,14-15H,6-10,12-13H2,1-2H3,(H,29,35)(H,30,31)/t15-/m1/s1
InChIKeyCXGQRFNTJMSHTL-OAHLLOKOSA-N
MW487.53 g/mol
LogP4.14
Rot. Bonds7

About 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide

5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide (PubChem CID 164869469) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
PubChem CID164869469
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Name5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)c(CN3CCC4(CC4)C3)[nH]2)c1
InChIInChI=1S/C24H28F3N7O/c1-15(10-19-32-28-14-33(19)2)16-4-3-5-17(11-16)29-22(35)21-30-18(20(31-21)24(25,26)27)12-34-9-8-23(13-34)6-7-23/h3-5,11,14-15H,6-10,12-13H2,1-2H3,(H,29,35)(H,30,31)/t15-/m1/s1
InChIKeyCXGQRFNTJMSHTL-OAHLLOKOSA-N
XLogP4.14
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 139349861
4-(trifluoromethyl)-N-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide
CID 139350900
N-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-4-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 139360336
4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide
CID 139360374
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 139360579
5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)-N-(2-fluorophenyl)-4H-1,2,4-triazole-3-carboxamide
CID 154685932
2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 176062849
2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 176062914
(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
N-(3-(3-(fluoro(4-methyl-4H-1,2,4-triazol-3-yl)methyl)oxetan-3-yl)phenyl)-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 164869471
N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]acetamide
CID 95785880

Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide (CID 164869469) is 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)c(CN3CCC4(CC4)C3)[nH]2)c1.
What is the InChIKey of 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The InChIKey is CXGQRFNTJMSHTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-15(10-19-32-28-14-33(19)2)16-4-3-5-17(11-16)29-22(35)21-30-18(20(31-21)24(25,26)27)12-34-9-8-23(13-34)6-7-23/h3-5,11,14-15H,6-10,12-13H2,1-2H3,(H,29,35)(H,30,31)/t15-/m1/s1.
What are the key properties of 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide?
5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 164869469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).