3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride

C11H16Cl2N4O — CID 86694219

IUPAC3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)n(C2CC(N)C2)c2ncccc21
InChIInChI=1S/C11H14N4O.2ClH/c1-14-9-3-2-4-13-10(9)15(11(14)16)8-5-7(12)6-8;;/h2-4,7-8H,5-6,12H2,1H3;2*1H
InChIKeyHPWYDQWRXRPZSI-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.24
Rot. Bonds1

About 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride

3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride (PubChem CID 86694219) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride
PubChem CID86694219
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)n(C2CC(N)C2)c2ncccc21
InChIInChI=1S/C11H14N4O.2ClH/c1-14-9-3-2-4-13-10(9)15(11(14)16)8-5-7(12)6-8;;/h2-4,7-8H,5-6,12H2,1H3;2*1H
InChIKeyHPWYDQWRXRPZSI-UHFFFAOYSA-N
XLogP1.24
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride?
The IUPAC name of 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride (CID 86694219) is 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride.
What is the SMILES notation for 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride?
The canonical SMILES for 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride is Cl.Cl.Cn1c(=O)n(C2CC(N)C2)c2ncccc21.
What is the InChIKey of 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride?
The InChIKey is HPWYDQWRXRPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.2ClH/c1-14-9-3-2-4-13-10(9)15(11(14)16)8-5-7(12)6-8;;/h2-4,7-8H,5-6,12H2,1H3;2*1H.
What are the key properties of 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride?
3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 86694219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).