4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid

C21H19N5O4 — CID 59176874

IUPAC4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid
SMILESCOCOc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)n2c1
InChIInChI=1S/C21H19N5O4/c1-13-19(26-11-16(30-12-29-2)7-8-18(26)23-13)17-9-10-22-21(25-17)24-15-5-3-14(4-6-15)20(27)28/h3-11H,12H2,1-2H3,(H,27,28)(H,22,24,25)
InChIKeyAXYDPGMXGUCESR-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.52
Rot. Bonds7

About 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid

4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid (PubChem CID 59176874) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid
PubChem CID59176874
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid
SMILESCOCOc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)n2c1
InChIInChI=1S/C21H19N5O4/c1-13-19(26-11-16(30-12-29-2)7-8-18(26)23-13)17-9-10-22-21(25-17)24-15-5-3-14(4-6-15)20(27)28/h3-11H,12H2,1-2H3,(H,27,28)(H,22,24,25)
InChIKeyAXYDPGMXGUCESR-UHFFFAOYSA-N
XLogP3.52
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid (CID 59176874) is 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid is COCOc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)n2c1.
What is the InChIKey of 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid?
The InChIKey is AXYDPGMXGUCESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-13-19(26-11-16(30-12-29-2)7-8-18(26)23-13)17-9-10-22-21(25-17)24-15-5-3-14(4-6-15)20(27)28/h3-11H,12H2,1-2H3,(H,27,28)(H,22,24,25).
What are the key properties of 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid?
4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid has a molecular weight of 405.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(methoxymethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid is sourced from PubChem (CID 59176874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).