6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one

C14H19ClN4O2 — CID 25093797

IUPAC6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C14H19ClN4O2/c1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20/h7-8,11H,2-6,9H2,1H3,(H,16,17,20)/t11-/m1/s1
InChIKeyAISAYXWYSLARSL-LLVKDONJSA-N
MW310.79 g/mol
LogP1.66
Rot. Bonds4

About 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25093797) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25093797
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C14H19ClN4O2/c1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20/h7-8,11H,2-6,9H2,1H3,(H,16,17,20)/t11-/m1/s1
InChIKeyAISAYXWYSLARSL-LLVKDONJSA-N
XLogP1.66
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25093797) is 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is AISAYXWYSLARSL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20/h7-8,11H,2-6,9H2,1H3,(H,16,17,20)/t11-/m1/s1.
What are the key properties of 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 310.79 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25093797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).