methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate

C20H16FN5O2 — CID 59176913

IUPACmethyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nccc(-c3c(C)nc4c(F)cccn34)n2)cc1
InChIInChI=1S/C20H16FN5O2/c1-12-17(26-11-3-4-15(21)18(26)23-12)16-9-10-22-20(25-16)24-14-7-5-13(6-8-14)19(27)28-2/h3-11H,1-2H3,(H,22,24,25)
InChIKeyQPFPMQHAKXVLJH-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.77
Rot. Bonds4

About methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate

methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate (PubChem CID 59176913) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
PubChem CID59176913
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Namemethyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nccc(-c3c(C)nc4c(F)cccn34)n2)cc1
InChIInChI=1S/C20H16FN5O2/c1-12-17(26-11-3-4-15(21)18(26)23-12)16-9-10-22-20(25-16)24-14-7-5-13(6-8-14)19(27)28-2/h3-11H,1-2H3,(H,22,24,25)
InChIKeyQPFPMQHAKXVLJH-UHFFFAOYSA-N
XLogP3.77
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176943
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
methyl 4-[[4-[(2,6-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318359
N-hydroxy-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzamide;4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid;4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide;O-(oxan-2-yl)hydroxylamine
CID 161426981
methyl 4-[[4-[(2-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305468
N-(2-aminophenyl)-4-[[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611113
N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163762
methyl 4-[[4-(tert-butylamino)pyrimidin-2-yl]amino]benzoate
CID 112899747
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 68681016
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
methyl 4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112904543
methyl 4-[[2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoate
CID 112905576

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate (CID 59176913) is methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4c(F)cccn34)n2)cc1.
What is the InChIKey of methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
The InChIKey is QPFPMQHAKXVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-17(26-11-3-4-15(21)18(26)23-12)16-9-10-22-20(25-16)24-14-7-5-13(6-8-14)19(27)28-2/h3-11H,1-2H3,(H,22,24,25).
What are the key properties of methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate has a molecular weight of 377.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate is sourced from PubChem (CID 59176913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).