5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine

C18H17Cl2N3O2 — CID 11740365

IUPAC5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine
SMILESCc1ccc(OC[C@@H]2CC[C@@H](n3cnc4c(Cl)cc(Cl)nc43)O2)cc1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-2-4-12(5-3-11)24-9-13-6-7-16(25-13)23-10-21-17-14(19)8-15(20)22-18(17)23/h2-5,8,10,13,16H,6-7,9H2,1H3/t13-,16-/m0/s1
InChIKeyOFJPFBXCVGEAMG-BBRMVZONSA-N
MW378.26 g/mol
LogP4.80
Rot. Bonds4

About 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine

5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine (PubChem CID 11740365) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine
PubChem CID11740365
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine
SMILESCc1ccc(OC[C@@H]2CC[C@@H](n3cnc4c(Cl)cc(Cl)nc43)O2)cc1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-2-4-12(5-3-11)24-9-13-6-7-16(25-13)23-10-21-17-14(19)8-15(20)22-18(17)23/h2-5,8,10,13,16H,6-7,9H2,1H3/t13-,16-/m0/s1
InChIKeyOFJPFBXCVGEAMG-BBRMVZONSA-N
XLogP4.80
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

6-chloro-9-[5-(methoxymethyl)oxolan-2-yl]purine-2-carbonitrile
CID 142057191
[5-[2-chloro-6-[(3-methylphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl acetate
CID 167153092
6-chloro-9-[5-(prop-2-ynoxymethyl)oxolan-2-yl]purine
CID 142875087
2-[[(2S)-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methoxy]-2-phosphonoacetic acid;methanol
CID 144952503
[(2R,3R,4R,5R)-2-(5,7-dichloroimidazo[4,5-b]pyridin-3-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 130438335
[(1R)-1-[[(2S,5R)-5-(2-chloro-6-methylpurin-9-yl)oxolan-2-yl]methoxy]-2-ethoxy-2-oxoethyl]phosphonic acid
CID 144952602
[(2R,3S)-5-(6-amino-2-iodopurin-9-yl)-3-(4-methylphenoxy)oxolan-2-yl]methanol
CID 88641514
2-amino-9-[5-(methylphosphanyloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 142386439
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
9-[(2R,5S)-5-[[bis(3-chlorophenoxy)phosphorylmethyl-(3-chlorophenoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2-chloro-N-cyclopentyl-N-methylpurin-6-amine
CID 166875319
[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
CID 142032624

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine (CID 11740365) is 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine is Cc1ccc(OC[C@@H]2CC[C@@H](n3cnc4c(Cl)cc(Cl)nc43)O2)cc1.
What is the InChIKey of 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine?
The InChIKey is OFJPFBXCVGEAMG-BBRMVZONSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-11-2-4-12(5-3-11)24-9-13-6-7-16(25-13)23-10-21-17-14(19)8-15(20)22-18(17)23/h2-5,8,10,13,16H,6-7,9H2,1H3/t13-,16-/m0/s1.
What are the key properties of 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine?
5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine has a molecular weight of 378.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[(2S,5S)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 11740365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).