7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol

C28H21Cl2IN10O2 — CID 159621022

IUPAC7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol
SMILESCn1cnc2c(Cl)cc(I)nc21.[C-]#[N+]c1cc(C)c(O)cn1.[C-]#[N+]c1cc(C)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1
InChIInChI=1S/C14H10ClN5O.C7H5ClIN3.C7H6N2O/c1-8-4-11(16-2)17-6-10(8)21-12-5-9(15)13-14(19-12)20(3)7-18-13;1-12-3-10-6-4(8)2-5(9)11-7(6)12;1-5-3-7(8-2)9-4-6(5)10/h4-7H,1,3H3;2-3H,1H3;3-4,10H,1H3
InChIKeyMNWSUWOLMPKGJI-UHFFFAOYSA-N
MW727.35 g/mol
LogP7.54
Rot. Bonds2

About 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol

7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol (PubChem CID 159621022) has the molecular formula C28H21Cl2IN10O2 and a molecular weight of 727.35 g/mol. Its IUPAC name is 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol.

Molecular Properties

Compound Name7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol
PubChem CID159621022
Molecular FormulaC28H21Cl2IN10O2
Molecular Weight727.35 g/mol
Exact Mass726.03
IUPAC Name7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol
SMILESCn1cnc2c(Cl)cc(I)nc21.[C-]#[N+]c1cc(C)c(O)cn1.[C-]#[N+]c1cc(C)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1
InChIInChI=1S/C14H10ClN5O.C7H5ClIN3.C7H6N2O/c1-8-4-11(16-2)17-6-10(8)21-12-5-9(15)13-14(19-12)20(3)7-18-13;1-12-3-10-6-4(8)2-5(9)11-7(6)12;1-5-3-7(8-2)9-4-6(5)10/h4-7H,1,3H3;2-3H,1H3;3-4,10H,1H3
InChIKeyMNWSUWOLMPKGJI-UHFFFAOYSA-N
XLogP7.54
TPSA125.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.35
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-isocyano-4-methylpyridin-3-ol
CID 159621023
5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methyl-N-[6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)pyridazin-3-yl]imidazo[4,5-b]pyridin-7-amine
CID 160851536
7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine
CID 160552968
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
CID 159146173
7-chloro-3,5-dimethylimidazo[4,5-b]pyridine
CID 83680448
5,7-dichloro-3-methylimidazo[4,5-b]pyridine
CID 59696154
4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571502
4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138560280
5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138571402
2-(2-chloro-4-fluorophenoxy)-1-(4-fluorophenyl)-9-methylpurin-6-one
CID 24958639
4-chloro-6-[(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-5-yl)oxy]-3-isocyano-2-methylpyridine
CID 58079940
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820110

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol?
The IUPAC name of 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol (CID 159621022) is 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol.
What is the SMILES notation for 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol?
The canonical SMILES for 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol is Cn1cnc2c(Cl)cc(I)nc21.[C-]#[N+]c1cc(C)c(O)cn1.[C-]#[N+]c1cc(C)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.
What is the InChIKey of 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol?
The InChIKey is MNWSUWOLMPKGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O.C7H5ClIN3.C7H6N2O/c1-8-4-11(16-2)17-6-10(8)21-12-5-9(15)13-14(19-12)20(3)7-18-13;1-12-3-10-6-4(8)2-5(9)11-7(6)12;1-5-3-7(8-2)9-4-6(5)10/h4-7H,1,3H3;2-3H,1H3;3-4,10H,1H3.
What are the key properties of 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol?
7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol has a molecular weight of 727.35 g/mol, XLogP of 7.54, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol is sourced from PubChem (CID 159621022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).