(6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine

C14H19BrN4O — CID 95632029

IUPAC(6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine
SMILESC[C@H]1CN(Cc2nc3ncc(Br)cc3[nH]2)CC(C)(C)O1
InChIInChI=1S/C14H19BrN4O/c1-9-6-19(8-14(2,3)20-9)7-12-17-11-4-10(15)5-16-13(11)18-12/h4-5,9H,6-8H2,1-3H3,(H,16,17,18)/t9-/m0/s1
InChIKeyMNPLOSUZTABICC-VIFPVBQESA-N
MW339.24 g/mol
LogP2.72
Rot. Bonds2

About (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine

(6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine (PubChem CID 95632029) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine
PubChem CID95632029
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name(6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine
SMILESC[C@H]1CN(Cc2nc3ncc(Br)cc3[nH]2)CC(C)(C)O1
InChIInChI=1S/C14H19BrN4O/c1-9-6-19(8-14(2,3)20-9)7-12-17-11-4-10(15)5-16-13(11)18-12/h4-5,9H,6-8H2,1-3H3,(H,16,17,18)/t9-/m0/s1
InChIKeyMNPLOSUZTABICC-VIFPVBQESA-N
XLogP2.72
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine?
The IUPAC name of (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine (CID 95632029) is (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine is C[C@H]1CN(Cc2nc3ncc(Br)cc3[nH]2)CC(C)(C)O1.
What is the InChIKey of (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine?
The InChIKey is MNPLOSUZTABICC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-9-6-19(8-14(2,3)20-9)7-12-17-11-4-10(15)5-16-13(11)18-12/h4-5,9H,6-8H2,1-3H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine?
(6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine has a molecular weight of 339.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 95632029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).