[4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid

C21H17FN4O3 — CID 66968736

IUPAC[4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid
SMILESNc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccc2n1
InChIInChI=1S/C21H17FN4O3/c22-17-10-15(29-16-7-9-20-24-19(23)13-25(20)12-16)6-8-18(17)26(21(27)28)11-14-4-2-1-3-5-14/h1-10,12-13H,11,23H2,(H,27,28)
InChIKeyJDSGTFSZHMFYGC-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.53
Rot. Bonds5

About [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid

[4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid (PubChem CID 66968736) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid.

Molecular Properties

Compound Name[4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid
PubChem CID66968736
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name[4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid
SMILESNc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccc2n1
InChIInChI=1S/C21H17FN4O3/c22-17-10-15(29-16-7-9-20-24-19(23)13-25(20)12-16)6-8-18(17)26(21(27)28)11-14-4-2-1-3-5-14/h1-10,12-13H,11,23H2,(H,27,28)
InChIKeyJDSGTFSZHMFYGC-UHFFFAOYSA-N
XLogP4.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic 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 [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid?
The IUPAC name of [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid (CID 66968736) is [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid.
What is the SMILES notation for [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid?
The canonical SMILES for [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid is Nc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccc2n1.
What is the InChIKey of [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid?
The InChIKey is JDSGTFSZHMFYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c22-17-10-15(29-16-7-9-20-24-19(23)13-25(20)12-16)6-8-18(17)26(21(27)28)11-14-4-2-1-3-5-14/h1-10,12-13H,11,23H2,(H,27,28).
What are the key properties of [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid?
[4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid has a molecular weight of 392.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoimidazo[1,2-a]pyridin-6-yl)oxy-2-fluorophenyl]-benzylcarbamic acid is sourced from PubChem (CID 66968736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).