1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one

C18H14F3N5O2 — CID 91938044

IUPAC1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
SMILES[2H]C([2H])([2H])n1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ncn(C([2H])([2H])[2H])c23)cn1
InChIInChI=1S/C18H14F3N5O2/c1-24-10-22-15-16(24)14(11-7-23-25(2)8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,1-2H3/i1D3,2D3
InChIKeyZJBCIWSBSPECFD-WFGJKAKNSA-N
MW395.37 g/mol
LogP3.02
Rot. Bonds5

About 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one

1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one (PubChem CID 91938044) has the molecular formula C18H14F3N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
PubChem CID91938044
Molecular FormulaC18H14F3N5O2
Molecular Weight395.37 g/mol
Exact Mass395.15
IUPAC Name1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
SMILES[2H]C([2H])([2H])n1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ncn(C([2H])([2H])[2H])c23)cn1
InChIInChI=1S/C18H14F3N5O2/c1-24-10-22-15-16(24)14(11-7-23-25(2)8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,1-2H3/i1D3,2D3
InChIKeyZJBCIWSBSPECFD-WFGJKAKNSA-N
XLogP3.02
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one (CID 91938044) is 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one is [2H]C([2H])([2H])n1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ncn(C([2H])([2H])[2H])c23)cn1.
What is the InChIKey of 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
The InChIKey is ZJBCIWSBSPECFD-WFGJKAKNSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c1-24-10-22-15-16(24)14(11-7-23-25(2)8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,1-2H3/i1D3,2D3.
What are the key properties of 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one has a molecular weight of 395.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)-7-[1-(trideuteriomethyl)pyrazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 91938044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).