7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine

C20H16F3N5 — CID 50914114

IUPAC7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine
SMILES[2H]C([2H])([2H])C(c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C20H16F3N5/c1-20(2,3)17-10-26-28-16(9-25-19(28)27-17)11-4-5-14(22)13(6-11)18-15(23)7-12(21)8-24-18/h4-10H,1-3H3/i1D3,2D3,3D3
InChIKeyVSFOMSPQWAXALX-GQALSZNTSA-N
MW392.43 g/mol
LogP4.57
Rot. Bonds2

About 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine

7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine (PubChem CID 50914114) has the molecular formula C20H16F3N5 and a molecular weight of 392.43 g/mol. Its IUPAC name is 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine
PubChem CID50914114
Molecular FormulaC20H16F3N5
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine
SMILES[2H]C([2H])([2H])C(c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C20H16F3N5/c1-20(2,3)17-10-26-28-16(9-25-19(28)27-17)11-4-5-14(22)13(6-11)18-15(23)7-12(21)8-24-18/h4-10H,1-3H3/i1D3,2D3,3D3
InChIKeyVSFOMSPQWAXALX-GQALSZNTSA-N
XLogP4.57
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine (CID 50914114) is 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine is [2H]C([2H])([2H])C(c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine?
The InChIKey is VSFOMSPQWAXALX-GQALSZNTSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-20(2,3)17-10-26-28-16(9-25-19(28)27-17)11-4-5-14(22)13(6-11)18-15(23)7-12(21)8-24-18/h4-10H,1-3H3/i1D3,2D3,3D3.
What are the key properties of 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine?
7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine has a molecular weight of 392.43 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 50914114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).