(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium

C29H26N2O2P+ — CID 87440786

IUPAC(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium
SMILESCCOC(=O)c1cccc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cn12
InChIInChI=1S/C29H26N2O2P/c1-2-33-29(32)27-19-12-20-28-30-23(21-31(27)28)22-34(24-13-6-3-7-14-24,25-15-8-4-9-16-25)26-17-10-5-11-18-26/h3-21H,2,22H2,1H3/q+1
InChIKeyHGWXHSHYJHEAPV-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.01
Rot. Bonds7

About (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium

(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium (PubChem CID 87440786) has the molecular formula C29H26N2O2P+ and a molecular weight of 465.51 g/mol. Its IUPAC name is (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium
PubChem CID87440786
Molecular FormulaC29H26N2O2P+
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium
SMILESCCOC(=O)c1cccc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cn12
InChIInChI=1S/C29H26N2O2P/c1-2-33-29(32)27-19-12-20-28-30-23(21-31(27)28)22-34(24-13-6-3-7-14-24,25-15-8-4-9-16-25)26-17-10-5-11-18-26/h3-21H,2,22H2,1H3/q+1
InChIKeyHGWXHSHYJHEAPV-UHFFFAOYSA-N
XLogP5.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424
ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 166339246
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
(4-ethoxycarbonylphenyl)methyl-triphenylphosphanium
CID 4073110
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255815
methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 67449555
2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255832
methyl 2-phenylimidazo[1,2-a]pyridine-5-carboxylate
CID 117133039
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255825
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536

Frequently Asked Questions

What is the IUPAC name of (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium?
The IUPAC name of (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium (CID 87440786) is (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium?
The canonical SMILES for (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium is CCOC(=O)c1cccc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cn12.
What is the InChIKey of (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium?
The InChIKey is HGWXHSHYJHEAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2P/c1-2-33-29(32)27-19-12-20-28-30-23(21-31(27)28)22-34(24-13-6-3-7-14-24,25-15-8-4-9-16-25)26-17-10-5-11-18-26/h3-21H,2,22H2,1H3/q+1.
What are the key properties of (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium?
(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium has a molecular weight of 465.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 87440786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).