1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one

C22H27N5O3 — CID 54761745

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3cncc(C(=O)N4CCOCC4)c3)nc21
InChIInChI=1S/C22H27N5O3/c1-22(2,3)14-27-18-6-5-17(24-19(18)25(4)21(27)29)15-11-16(13-23-12-15)20(28)26-7-9-30-10-8-26/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyQZDBGNHVTKECIE-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 54761745) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
PubChem CID54761745
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3cncc(C(=O)N4CCOCC4)c3)nc21
InChIInChI=1S/C22H27N5O3/c1-22(2,3)14-27-18-6-5-17(24-19(18)25(4)21(27)29)15-11-16(13-23-12-15)20(28)26-7-9-30-10-8-26/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyQZDBGNHVTKECIE-UHFFFAOYSA-N
XLogP2.32
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one (CID 54761745) is 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cncc(C(=O)N4CCOCC4)c3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is QZDBGNHVTKECIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-22(2,3)14-27-18-6-5-17(24-19(18)25(4)21(27)29)15-11-16(13-23-12-15)20(28)26-7-9-30-10-8-26/h5-6,11-13H,7-10,14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 409.49 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54761745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).