methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

C15H12Cl2N4O2 — CID 22485014

IUPACmethyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C)n(Cc3ncc(Cl)cc3Cl)c2n1
InChIInChI=1S/C15H12Cl2N4O2/c1-8-19-11-3-4-12(15(22)23-2)20-14(11)21(8)7-13-10(17)5-9(16)6-18-13/h3-6H,7H2,1-2H3
InChIKeyFRTOOWFJNZNXSR-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.28
Rot. Bonds3

About methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22485014) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22485014
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Namemethyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C)n(Cc3ncc(Cl)cc3Cl)c2n1
InChIInChI=1S/C15H12Cl2N4O2/c1-8-19-11-3-4-12(15(22)23-2)20-14(11)21(8)7-13-10(17)5-9(16)6-18-13/h3-6H,7H2,1-2H3
InChIKeyFRTOOWFJNZNXSR-UHFFFAOYSA-N
XLogP3.28
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 22485014) is methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2nc(C)n(Cc3ncc(Cl)cc3Cl)c2n1.
What is the InChIKey of methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is FRTOOWFJNZNXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-8-19-11-3-4-12(15(22)23-2)20-14(11)21(8)7-13-10(17)5-9(16)6-18-13/h3-6H,7H2,1-2H3.
What are the key properties of methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 351.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22485014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).