[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid

C20H20N3O6P — CID 118041305

IUPAC[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid
SMILESCC(C)Oc1cc(Oc2ccc(P(=O)(O)O)cc2)cc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C20H20N3O6P/c1-13(2)28-16-9-14(20(24)23-19-12-21-7-8-22-19)10-17(11-16)29-15-3-5-18(6-4-15)30(25,26)27/h3-13H,1-2H3,(H,22,23,24)(H2,25,26,27)
InChIKeySRCGSESJYUZXTF-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.11
Rot. Bonds7

About [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid

[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid (PubChem CID 118041305) has the molecular formula C20H20N3O6P and a molecular weight of 429.37 g/mol. Its IUPAC name is [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid
PubChem CID118041305
Molecular FormulaC20H20N3O6P
Molecular Weight429.37 g/mol
Exact Mass429.11
IUPAC Name[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid
SMILESCC(C)Oc1cc(Oc2ccc(P(=O)(O)O)cc2)cc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C20H20N3O6P/c1-13(2)28-16-9-14(20(24)23-19-12-21-7-8-22-19)10-17(11-16)29-15-3-5-18(6-4-15)30(25,26)27/h3-13H,1-2H3,(H,22,23,24)(H2,25,26,27)
InChIKeySRCGSESJYUZXTF-UHFFFAOYSA-N
XLogP3.11
TPSA130.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]phenyl]phosphonic acid
CID 58528963
[5-[[3-(4-ethylsulfonylphenoxy)-5-propan-2-yloxybenzoyl]amino]pyrazin-2-yl]-methylphosphinic acid
CID 58528815
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
[2-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]pyrimidin-5-yl]phosphonic acid
CID 58528871
methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate
CID 174658036
propan-2-yl (2S)-2-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]phenyl]phosphoryl]amino]propanoate
CID 58528848
[4-[[3-propan-2-yloxy-5-(1,3,4-thiadiazol-2-ylcarbamoyl)phenoxy]methyl]phenyl]phosphonic acid
CID 126755018
methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
CID 174658028
[5-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoyl]amino]-1,3,4-thiadiazol-2-yl]phosphonic acid
CID 58528873
3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
[3-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]phenyl]methylphosphonic acid
CID 58529028
1-methyl-2-oxo-N-pyrazin-2-ylpyridine-4-carboxamide
CID 113221321

Frequently Asked Questions

What is the IUPAC name of [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid?
The IUPAC name of [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid (CID 118041305) is [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid.
What is the SMILES notation for [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid?
The canonical SMILES for [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid is CC(C)Oc1cc(Oc2ccc(P(=O)(O)O)cc2)cc(C(=O)Nc2cnccn2)c1.
What is the InChIKey of [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid?
The InChIKey is SRCGSESJYUZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N3O6P/c1-13(2)28-16-9-14(20(24)23-19-12-21-7-8-22-19)10-17(11-16)29-15-3-5-18(6-4-15)30(25,26)27/h3-13H,1-2H3,(H,22,23,24)(H2,25,26,27).
What are the key properties of [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid?
[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid has a molecular weight of 429.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid is sourced from PubChem (CID 118041305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).