[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone

C17H15BrN4O2 — CID 138997867

IUPAC[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H15BrN4O2/c18-12-3-1-11(2-4-12)15-9-22(7-8-24-15)17(23)14-6-5-13-16(21-14)20-10-19-13/h1-6,10,15H,7-9H2,(H,19,20,21)
InChIKeyYVACOKMTMNVXSM-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.93
Rot. Bonds2

About [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone

[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone (PubChem CID 138997867) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
PubChem CID138997867
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H15BrN4O2/c18-12-3-1-11(2-4-12)15-9-22(7-8-24-15)17(23)14-6-5-13-16(21-14)20-10-19-13/h1-6,10,15H,7-9H2,(H,19,20,21)
InChIKeyYVACOKMTMNVXSM-UHFFFAOYSA-N
XLogP2.93
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
3-[(2S)-2-(4-bromophenyl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
CID 94975491
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone (CID 138997867) is [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone is O=C(c1ccc2[nH]cnc2n1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
The InChIKey is YVACOKMTMNVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-12-3-1-11(2-4-12)15-9-22(7-8-24-15)17(23)14-6-5-13-16(21-14)20-10-19-13/h1-6,10,15H,7-9H2,(H,19,20,21).
What are the key properties of [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone has a molecular weight of 387.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone is sourced from PubChem (CID 138997867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).