[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone

C23H23F3N6O2 — CID 129315741

IUPAC[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C23H23F3N6O2/c1-14-20(22(33)32-12-17(13-32)23(24,25)26)30-21(29-14)19-9-15(2-3-28-19)16-8-18(11-27-10-16)31-4-6-34-7-5-31/h2-3,8-11,17H,4-7,12-13H2,1H3,(H,29,30)
InChIKeyJNPLHRAWMKGCER-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.31
Rot. Bonds4

About [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone

[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 129315741) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID129315741
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C23H23F3N6O2/c1-14-20(22(33)32-12-17(13-32)23(24,25)26)30-21(29-14)19-9-15(2-3-28-19)16-8-18(11-27-10-16)31-4-6-34-7-5-31/h2-3,8-11,17H,4-7,12-13H2,1H3,(H,29,30)
InChIKeyJNPLHRAWMKGCER-UHFFFAOYSA-N
XLogP3.31
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone (CID 129315741) is [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N1CC(C(F)(F)F)C1.
What is the InChIKey of [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is JNPLHRAWMKGCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-14-20(22(33)32-12-17(13-32)23(24,25)26)30-21(29-14)19-9-15(2-3-28-19)16-8-18(11-27-10-16)31-4-6-34-7-5-31/h2-3,8-11,17H,4-7,12-13H2,1H3,(H,29,30).
What are the key properties of [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 472.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 129315741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).