2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid

C16H17N3O4 — CID 136574677

IUPAC2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cnc3n2CCCC3)c1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-23-12-5-3-4-11(8-12)18-16(22)13-9-17-14-6-1-2-7-19(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,18,22)(H,20,21)
InChIKeyPLMNEEFJAYOBDE-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.94
Rot. Bonds5

About 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid

2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid (PubChem CID 136574677) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
PubChem CID136574677
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cnc3n2CCCC3)c1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-23-12-5-3-4-11(8-12)18-16(22)13-9-17-14-6-1-2-7-19(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,18,22)(H,20,21)
InChIKeyPLMNEEFJAYOBDE-UHFFFAOYSA-N
XLogP1.94
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
CID 119224754
2-[3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]phenoxy]acetic acid
CID 119224858
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
CID 61058223
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 136566754
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
CID 119224878
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid (CID 136574677) is 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2cnc3n2CCCC3)c1.
What is the InChIKey of 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
The InChIKey is PLMNEEFJAYOBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(21)10-23-12-5-3-4-11(8-12)18-16(22)13-9-17-14-6-1-2-7-19(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,18,22)(H,20,21).
What are the key properties of 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 136574677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).