[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid

C20H21ClN3O5P — CID 135334864

IUPAC[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(C4=CCN(P(=O)(O)O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C20H21ClN3O5P/c1-28-18-11-19(29-2)16(21)10-15(18)17-12-23-6-3-14(9-20(23)22-17)13-4-7-24(8-5-13)30(25,26)27/h3-4,6,9-12H,5,7-8H2,1-2H3,(H2,25,26,27)
InChIKeyLNJBSYMEWGYMPA-UHFFFAOYSA-N
MW449.83 g/mol
LogP3.85
Rot. Bonds5

About [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid

[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid (PubChem CID 135334864) has the molecular formula C20H21ClN3O5P and a molecular weight of 449.83 g/mol. Its IUPAC name is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid.

Molecular Properties

Compound Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid
PubChem CID135334864
Molecular FormulaC20H21ClN3O5P
Molecular Weight449.83 g/mol
Exact Mass449.09
IUPAC Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(C4=CCN(P(=O)(O)O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C20H21ClN3O5P/c1-28-18-11-19(29-2)16(21)10-15(18)17-12-23-6-3-14(9-20(23)22-17)13-4-7-24(8-5-13)30(25,26)27/h3-4,6,9-12H,5,7-8H2,1-2H3,(H2,25,26,27)
InChIKeyLNJBSYMEWGYMPA-UHFFFAOYSA-N
XLogP3.85
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 135335135
methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 140914537
ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 140914876
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-amine;hydrochloride
CID 135335467
7-(5-bromopyrimidin-2-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 135335554
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
2-(5-chloro-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine
CID 135335373
N-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-(methylamino)acetamide
CID 135334878
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 135335358
2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]acetamide
CID 135335412
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 135335326

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid?
The IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid (CID 135334864) is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid.
What is the SMILES notation for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid?
The canonical SMILES for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid is COc1cc(OC)c(-c2cn3ccc(C4=CCN(P(=O)(O)O)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid?
The InChIKey is LNJBSYMEWGYMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN3O5P/c1-28-18-11-19(29-2)16(21)10-15(18)17-12-23-6-3-14(9-20(23)22-17)13-4-7-24(8-5-13)30(25,26)27/h3-4,6,9-12H,5,7-8H2,1-2H3,(H2,25,26,27).
What are the key properties of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid?
[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid has a molecular weight of 449.83 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid is sourced from PubChem (CID 135334864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).