[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone

C17H14ClIN4O2 — CID 25028462

IUPAC[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc3ncc(Cl)c(I)c3[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C17H14ClIN4O2/c18-12-9-20-16-14(13(12)19)21-15(22-16)10-1-3-11(4-2-10)17(24)23-5-7-25-8-6-23/h1-4,9H,5-8H2,(H,20,21,22)
InChIKeyZEYCYSNSSFOCHR-UHFFFAOYSA-N
MW468.68 g/mol
LogP3.36
Rot. Bonds2

About [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone

[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 25028462) has the molecular formula C17H14ClIN4O2 and a molecular weight of 468.68 g/mol. Its IUPAC name is [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID25028462
Molecular FormulaC17H14ClIN4O2
Molecular Weight468.68 g/mol
Exact Mass467.99
IUPAC Name[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc3ncc(Cl)c(I)c3[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C17H14ClIN4O2/c18-12-9-20-16-14(13(12)19)21-15(22-16)10-1-3-11(4-2-10)17(24)23-5-7-25-8-6-23/h1-4,9H,5-8H2,(H,20,21,22)
InChIKeyZEYCYSNSSFOCHR-UHFFFAOYSA-N
XLogP3.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[6-chloro-2-[4-(piperazine-1-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 123935856
[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 25095656
1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one
CID 121249781
(1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide
CID 118650237
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline
CID 69373889
5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine
CID 161336451
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 25197901
morpholin-4-yl-[4-[5-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]phenyl]methanone
CID 68725440

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone (CID 25028462) is [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2nc3ncc(Cl)c(I)c3[nH]2)cc1)N1CCOCC1.
What is the InChIKey of [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZEYCYSNSSFOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClIN4O2/c18-12-9-20-16-14(13(12)19)21-15(22-16)10-1-3-11(4-2-10)17(24)23-5-7-25-8-6-23/h1-4,9H,5-8H2,(H,20,21,22).
What are the key properties of [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone?
[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 468.68 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25028462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).