6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H19FN4O — CID 158663541

IUPAC6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cnc2ccc(-c3cc(F)ccc3-c3cccc(C)n3)cn12)C([2H])([2H])[2H]
InChIInChI=1S/C22H19FN4O/c1-14-5-4-6-19(25-14)17-9-8-16(23)11-18(17)15-7-10-21-24-12-20(27(21)13-15)22(28)26(2)3/h4-13H,1-3H3/i2D3,3D3
InChIKeyQBKFGFYLGFERDV-XERRXZQWSA-N
MW380.46 g/mol
LogP4.21
Rot. Bonds5

About 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 158663541) has the molecular formula C22H19FN4O and a molecular weight of 380.46 g/mol. Its IUPAC name is 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID158663541
Molecular FormulaC22H19FN4O
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cnc2ccc(-c3cc(F)ccc3-c3cccc(C)n3)cn12)C([2H])([2H])[2H]
InChIInChI=1S/C22H19FN4O/c1-14-5-4-6-19(25-14)17-9-8-16(23)11-18(17)15-7-10-21-24-12-20(27(21)13-15)22(28)26(2)3/h4-13H,1-3H3/i2D3,3D3
InChIKeyQBKFGFYLGFERDV-XERRXZQWSA-N
XLogP4.21
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 158663541) is 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is [2H]C([2H])([2H])N(C(=O)c1cnc2ccc(-c3cc(F)ccc3-c3cccc(C)n3)cn12)C([2H])([2H])[2H].
What is the InChIKey of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QBKFGFYLGFERDV-XERRXZQWSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14-5-4-6-19(25-14)17-9-8-16(23)11-18(17)15-7-10-21-24-12-20(27(21)13-15)22(28)26(2)3/h4-13H,1-3H3/i2D3,3D3.
What are the key properties of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158663541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).