[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid

C12H19N6O4P — CID 22729710

IUPAC[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NP(=O)(O)O)c2c1C
InChIInChI=1S/C12H19N6O4P/c1-6-7(2)15-11(13)9-10(6)18(8(3)16-9)5-4-14-12(19)17-23(20,21)22/h4-5H2,1-3H3,(H2,13,15)(H4,14,17,19,20,21,22)
InChIKeyBSQPUIXFXMPESM-UHFFFAOYSA-N
MW342.30 g/mol
LogP0.33
Rot. Bonds4

About [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid

[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid (PubChem CID 22729710) has the molecular formula C12H19N6O4P and a molecular weight of 342.30 g/mol. Its IUPAC name is [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid.

Molecular Properties

Compound Name[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid
PubChem CID22729710
Molecular FormulaC12H19N6O4P
Molecular Weight342.30 g/mol
Exact Mass342.12
IUPAC Name[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NP(=O)(O)O)c2c1C
InChIInChI=1S/C12H19N6O4P/c1-6-7(2)15-11(13)9-10(6)18(8(3)16-9)5-4-14-12(19)17-23(20,21)22/h4-5H2,1-3H3,(H2,13,15)(H4,14,17,19,20,21,22)
InChIKeyBSQPUIXFXMPESM-UHFFFAOYSA-N
XLogP0.33
TPSA155.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 50.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]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

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid?
The IUPAC name of [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid (CID 22729710) is [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid.
What is the SMILES notation for [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid?
The canonical SMILES for [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid is Cc1nc(N)c2nc(C)n(CCNC(=O)NP(=O)(O)O)c2c1C.
What is the InChIKey of [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid?
The InChIKey is BSQPUIXFXMPESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N6O4P/c1-6-7(2)15-11(13)9-10(6)18(8(3)16-9)5-4-14-12(19)17-23(20,21)22/h4-5H2,1-3H3,(H2,13,15)(H4,14,17,19,20,21,22).
What are the key properties of [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid?
[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid has a molecular weight of 342.30 g/mol, XLogP of 0.33, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid is sourced from PubChem (CID 22729710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).