methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate

C15H14Cl2N4O2 — CID 22485071

IUPACmethyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NC(C)N2Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4O2/c1-8-19-14-13(4-3-11(20-14)15(22)23-2)21(8)7-12-10(17)5-9(16)6-18-12/h3-6,8H,7H2,1-2H3,(H,19,20)
InChIKeyBXOXVOPZPWKABE-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.35
Rot. Bonds3

About methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate

methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22485071) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22485071
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Namemethyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NC(C)N2Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4O2/c1-8-19-14-13(4-3-11(20-14)15(22)23-2)21(8)7-12-10(17)5-9(16)6-18-12/h3-6,8H,7H2,1-2H3,(H,19,20)
InChIKeyBXOXVOPZPWKABE-UHFFFAOYSA-N
XLogP3.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485014
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485064
2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 123751326
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
CID 175899462
1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347653
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 166099459
methyl 5-chloropyridazine-3-carboxylate
CID 131699995

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate (CID 22485071) is methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)NC(C)N2Cc1ncc(Cl)cc1Cl.
What is the InChIKey of methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is BXOXVOPZPWKABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-8-19-14-13(4-3-11(20-14)15(22)23-2)21(8)7-12-10(17)5-9(16)6-18-12/h3-6,8H,7H2,1-2H3,(H,19,20).
What are the key properties of methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 353.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22485071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).