2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide

C25H26FN7O2 — CID 58824286

IUPAC2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H26FN7O2/c1-31(16-21(27)34)15-17-7-9-33-22(14-17)30-23(18-2-4-19(26)5-3-18)24(33)20-6-8-28-25(29-20)32-10-12-35-13-11-32/h2-9,14H,10-13,15-16H2,1H3,(H2,27,34)
InChIKeyNDBQERIKFDOITD-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.35
Rot. Bonds7

About 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide

2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide (PubChem CID 58824286) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide
PubChem CID58824286
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H26FN7O2/c1-31(16-21(27)34)15-17-7-9-33-22(14-17)30-23(18-2-4-19(26)5-3-18)24(33)20-6-8-28-25(29-20)32-10-12-35-13-11-32/h2-9,14H,10-13,15-16H2,1H3,(H2,27,34)
InChIKeyNDBQERIKFDOITD-UHFFFAOYSA-N
XLogP2.35
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824388
N-butyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopropyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,6-dimethoxyphenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;1-[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 162126230
4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824614
N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
CID 58824430
1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824273
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide
CID 58824318
methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate
CID 58824540
2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile
CID 58824357
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
CID 58824481
4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 58824370
4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine
CID 89372698
4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
CID 142199413

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide (CID 58824286) is 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide is CN(CC(N)=O)Cc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide?
The InChIKey is NDBQERIKFDOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-31(16-21(27)34)15-17-7-9-33-22(14-17)30-23(18-2-4-19(26)5-3-18)24(33)20-6-8-28-25(29-20)32-10-12-35-13-11-32/h2-9,14H,10-13,15-16H2,1H3,(H2,27,34).
What are the key properties of 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide?
2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide has a molecular weight of 475.53 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 58824286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).