N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

C31H27FN4O2 — CID 68622604

IUPACN-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESCC(C)(C)C(=O)c1cccc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)c1
InChIInChI=1S/C31H27FN4O2/c1-31(2,3)30(38)24-5-4-6-25(15-24)35-29(37)18-22-7-8-23(16-26(22)32)27-19-34-28-17-21(11-14-36(27)28)20-9-12-33-13-10-20/h4-17,19H,18H2,1-3H3,(H,35,37)
InChIKeyKJRQRRHUDVRYNQ-UHFFFAOYSA-N
MW506.58 g/mol
LogP6.61
Rot. Bonds6

About N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 68622604) has the molecular formula C31H27FN4O2 and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
PubChem CID68622604
Molecular FormulaC31H27FN4O2
Molecular Weight506.58 g/mol
Exact Mass506.21
IUPAC NameN-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESCC(C)(C)C(=O)c1cccc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)c1
InChIInChI=1S/C31H27FN4O2/c1-31(2,3)30(38)24-5-4-6-25(15-24)35-29(37)18-22-7-8-23(16-26(22)32)27-19-34-28-17-21(11-14-36(27)28)20-9-12-33-13-10-20/h4-17,19H,18H2,1-3H3,(H,35,37)
InChIKeyKJRQRRHUDVRYNQ-UHFFFAOYSA-N
XLogP6.61
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68621927
tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
CID 68543160
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 68621684
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea
CID 68622012
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622685
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622762
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide
CID 87518831
2-[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 68542885
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
3-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 89259333

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (CID 68622604) is N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is CC(C)(C)C(=O)c1cccc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is KJRQRRHUDVRYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O2/c1-31(2,3)30(38)24-5-4-6-25(15-24)35-29(37)18-22-7-8-23(16-26(22)32)27-19-34-28-17-21(11-14-36(27)28)20-9-12-33-13-10-20/h4-17,19H,18H2,1-3H3,(H,35,37).
What are the key properties of N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 506.58 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 68622604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).