1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

C23H20F3N5O — CID 153028694

IUPAC1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESCc1nc(N)cc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C23H20F3N5O/c1-14-29-19(12-21(27)30-14)16-6-8-31-20(13-28-22(31)11-16)17-4-2-3-15(9-17)10-18(32)5-7-23(24,25)26/h2-4,6,8-9,11-13H,5,7,10H2,1H3,(H2,27,29,30)
InChIKeyVDJNDQGNBXNDTK-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.80
Rot. Bonds6

About 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 153028694) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
PubChem CID153028694
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESCc1nc(N)cc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C23H20F3N5O/c1-14-29-19(12-21(27)30-14)16-6-8-31-20(13-28-22(31)11-16)17-4-2-3-15(9-17)10-18(32)5-7-23(24,25)26/h2-4,6,8-9,11-13H,5,7,10H2,1H3,(H2,27,29,30)
InChIKeyVDJNDQGNBXNDTK-UHFFFAOYSA-N
XLogP4.80
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 157063395
1-[3-[7-[5-(1,1-difluoroethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 147204904
5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 159734873
1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 162069426
1-[3-(7-acetylimidazo[1,2-a]pyridin-3-yl)phenyl]-5,5,5-trifluoropentan-2-one;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91455358
5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 147786851
5,5,5-trifluoro-1-[3-[7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 149234250
5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 158960784
1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 58080734
methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 157275453
5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 58081510
tert-butyl 2-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 159686851

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 153028694) is 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is Cc1nc(N)cc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1.
What is the InChIKey of 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The InChIKey is VDJNDQGNBXNDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-14-29-19(12-21(27)30-14)16-6-8-31-20(13-28-22(31)11-16)17-4-2-3-15(9-17)10-18(32)5-7-23(24,25)26/h2-4,6,8-9,11-13H,5,7,10H2,1H3,(H2,27,29,30).
What are the key properties of 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 439.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 153028694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).