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

C18H13N5O2 — CID 91450809

IUPAC4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(c2ccncn2)c2cnc3ccccn23)cc1
InChIInChI=1S/C18H13N5O2/c24-18(25)13-4-6-14(7-5-13)23(16-8-9-19-12-21-16)17-11-20-15-3-1-2-10-22(15)17/h1-12H,(H,24,25)
InChIKeyIPXSLVNPGCXJCF-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.29
Rot. Bonds4

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

4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid (PubChem CID 91450809) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid
PubChem CID91450809
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(c2ccncn2)c2cnc3ccccn23)cc1
InChIInChI=1S/C18H13N5O2/c24-18(25)13-4-6-14(7-5-13)23(16-8-9-19-12-21-16)17-11-20-15-3-1-2-10-22(15)17/h1-12H,(H,24,25)
InChIKeyIPXSLVNPGCXJCF-UHFFFAOYSA-N
XLogP3.29
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid (CID 91450809) is 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid is O=C(O)c1ccc(N(c2ccncn2)c2cnc3ccccn23)cc1.
What is the InChIKey of 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid?
The InChIKey is IPXSLVNPGCXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-18(25)13-4-6-14(7-5-13)23(16-8-9-19-12-21-16)17-11-20-15-3-1-2-10-22(15)17/h1-12H,(H,24,25).
What are the key properties of 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid?
4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid has a molecular weight of 331.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazo[1,2-a]pyridin-3-yl(pyrimidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 91450809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).