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

C21H17FN4O — CID 158663540

IUPAC6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc2ccc(-c3cc(F)ccc3-c3cccc(C)n3)cn12
InChIInChI=1S/C21H17FN4O/c1-13-4-3-5-18(25-13)16-8-7-15(22)10-17(16)14-6-9-20-24-11-19(21(27)23-2)26(20)12-14/h3-12H,1-2H3,(H,23,27)/i2D3
InChIKeyNOQSGIHGRQICBG-BMSJAHLVSA-N
MW363.41 g/mol
LogP3.87
Rot. Bonds4

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

6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 158663540) has the molecular formula C21H17FN4O and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID158663540
Molecular FormulaC21H17FN4O
Molecular Weight363.41 g/mol
Exact Mass363.16
IUPAC Name6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc2ccc(-c3cc(F)ccc3-c3cccc(C)n3)cn12
InChIInChI=1S/C21H17FN4O/c1-13-4-3-5-18(25-13)16-8-7-15(22)10-17(16)14-6-9-20-24-11-19(21(27)23-2)26(20)12-14/h3-12H,1-2H3,(H,23,27)/i2D3
InChIKeyNOQSGIHGRQICBG-BMSJAHLVSA-N
XLogP3.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 138706947
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 158663541
N-hydroxy-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 160787721
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-[2-(6-methyl-2-pyridinyl)phenyl]quinoxaline-2-carboxamide;6-[2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 161106027
6-[4-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 138707025
N-methyl-6-[3-(methylamino)-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 170075545
N-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169074327
6-[5-fluoro-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 122478654
N-methyl-6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155787588
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-6-(6-methyl-2-pyridinyl)-3-pyridinyl]acetamide
CID 122478505
6-[2-[6-(difluoromethyl)-2-pyridinyl]-5-fluoro-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122478437
6-fluoroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162420999

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 158663540) is 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc2ccc(-c3cc(F)ccc3-c3cccc(C)n3)cn12.
What is the InChIKey of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NOQSGIHGRQICBG-BMSJAHLVSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-13-4-3-5-18(25-13)16-8-7-15(22)10-17(16)14-6-9-20-24-11-19(21(27)23-2)26(20)12-14/h3-12H,1-2H3,(H,23,27)/i2D3.
What are the key properties of 6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 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-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158663540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).