2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C12H19N5O — CID 114227026

IUPAC2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCOC(CN)Cc1nc2nc(NC)ccc2[nH]1
InChIInChI=1S/C12H19N5O/c1-3-18-8(7-13)6-11-15-9-4-5-10(14-2)16-12(9)17-11/h4-5,8H,3,6-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMLFAHXDZQVMSNF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.91
Rot. Bonds6

About 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 114227026) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID114227026
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCOC(CN)Cc1nc2nc(NC)ccc2[nH]1
InChIInChI=1S/C12H19N5O/c1-3-18-8(7-13)6-11-15-9-4-5-10(14-2)16-12(9)17-11/h4-5,8H,3,6-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMLFAHXDZQVMSNF-UHFFFAOYSA-N
XLogP0.91
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 114227026) is 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CCOC(CN)Cc1nc2nc(NC)ccc2[nH]1.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is MLFAHXDZQVMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-18-8(7-13)6-11-15-9-4-5-10(14-2)16-12(9)17-11/h4-5,8H,3,6-7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 249.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 114227026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).