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

C20H17N5O2 — CID 59176943

IUPACmethyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)c1
InChIInChI=1S/C20H17N5O2/c1-13-18(25-11-4-3-8-17(25)22-13)16-9-10-21-20(24-16)23-15-7-5-6-14(12-15)19(26)27-2/h3-12H,1-2H3,(H,21,23,24)
InChIKeyPGPRGCIVAJFPNF-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.63
Rot. Bonds4

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

methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate (PubChem CID 59176943) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
PubChem CID59176943
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Namemethyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)c1
InChIInChI=1S/C20H17N5O2/c1-13-18(25-11-4-3-8-17(25)22-13)16-9-10-21-20(24-16)23-15-7-5-6-14(12-15)19(26)27-2/h3-12H,1-2H3,(H,21,23,24)
InChIKeyPGPRGCIVAJFPNF-UHFFFAOYSA-N
XLogP3.63
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176913
N-(2-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539019
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 68681016
methyl 3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112901585
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 71044040
methyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112898963
N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
CID 67162707
methyl 3-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902928
methyl 3-[[4-[(2-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109316787
5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide
CID 59176803

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate (CID 59176943) is methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate is COC(=O)c1cccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)c1.
What is the InChIKey of methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
The InChIKey is PGPRGCIVAJFPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-18(25-11-4-3-8-17(25)22-13)16-9-10-21-20(24-16)23-15-7-5-6-14(12-15)19(26)27-2/h3-12H,1-2H3,(H,21,23,24).
What are the key properties of methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate?
methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate has a molecular weight of 359.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate is sourced from PubChem (CID 59176943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).