2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid

C27H22N4O2 — CID 25261263

IUPAC2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid
SMILESCNc1cc(-c2cnc3cc(-c4ccc(CC(=O)O)cc4)ccn23)cc(-c2ccccc2)n1
InChIInChI=1S/C27H22N4O2/c1-28-25-15-22(14-23(30-25)20-5-3-2-4-6-20)24-17-29-26-16-21(11-12-31(24)26)19-9-7-18(8-10-19)13-27(32)33/h2-12,14-17H,13H2,1H3,(H,28,30)(H,32,33)
InChIKeyXQZYHFSXJPTABF-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.40
Rot. Bonds6

About 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid

2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid (PubChem CID 25261263) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid
PubChem CID25261263
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid
SMILESCNc1cc(-c2cnc3cc(-c4ccc(CC(=O)O)cc4)ccn23)cc(-c2ccccc2)n1
InChIInChI=1S/C27H22N4O2/c1-28-25-15-22(14-23(30-25)20-5-3-2-4-6-20)24-17-29-26-16-21(11-12-31(24)26)19-9-7-18(8-10-19)13-27(32)33/h2-12,14-17H,13H2,1H3,(H,28,30)(H,32,33)
InChIKeyXQZYHFSXJPTABF-UHFFFAOYSA-N
XLogP5.40
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid (CID 25261263) is 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid is CNc1cc(-c2cnc3cc(-c4ccc(CC(=O)O)cc4)ccn23)cc(-c2ccccc2)n1.
What is the InChIKey of 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid?
The InChIKey is XQZYHFSXJPTABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-28-25-15-22(14-23(30-25)20-5-3-2-4-6-20)24-17-29-26-16-21(11-12-31(24)26)19-9-7-18(8-10-19)13-27(32)33/h2-12,14-17H,13H2,1H3,(H,28,30)(H,32,33).
What are the key properties of 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid?
2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid has a molecular weight of 434.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[2-(methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid is sourced from PubChem (CID 25261263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).