N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine

C11H15FN4O2 — CID 130447938

IUPACN-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCOC(CN(C)c1nc2nc(F)ccc2[nH]1)OC
InChIInChI=1S/C11H15FN4O2/c1-16(6-9(17-2)18-3)11-13-7-4-5-8(12)14-10(7)15-11/h4-5,9H,6H2,1-3H3,(H,13,14,15)
InChIKeyHKGBZQFKBIUDQR-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.15
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine

N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine (PubChem CID 130447938) has the molecular formula C11H15FN4O2 and a molecular weight of 254.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine
PubChem CID130447938
Molecular FormulaC11H15FN4O2
Molecular Weight254.27 g/mol
Exact Mass254.12
IUPAC NameN-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCOC(CN(C)c1nc2nc(F)ccc2[nH]1)OC
InChIInChI=1S/C11H15FN4O2/c1-16(6-9(17-2)18-3)11-13-7-4-5-8(12)14-10(7)15-11/h4-5,9H,6H2,1-3H3,(H,13,14,15)
InChIKeyHKGBZQFKBIUDQR-UHFFFAOYSA-N
XLogP1.15
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine (CID 130447938) is N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine is COC(CN(C)c1nc2nc(F)ccc2[nH]1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HKGBZQFKBIUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-16(6-9(17-2)18-3)11-13-7-4-5-8(12)14-10(7)15-11/h4-5,9H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine?
N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine has a molecular weight of 254.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-fluoro-N-methyl-1H-imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 130447938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).