methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate

C24H15F2N5O2 — CID 59595990

IUPACmethyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1
InChIInChI=1S/C24H15F2N5O2/c1-33-24(32)14-6-4-13(5-7-14)22-29-19-9-16(20-17(25)11-28-12-18(20)26)21(30-23(19)31-22)15-3-2-8-27-10-15/h2-12H,1H3,(H,29,30,31)
InChIKeyVQSFKPRSTZBSQI-UHFFFAOYSA-N
MW443.41 g/mol
LogP4.81
Rot. Bonds4

About methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate

methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate (PubChem CID 59595990) has the molecular formula C24H15F2N5O2 and a molecular weight of 443.41 g/mol. Its IUPAC name is methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate
PubChem CID59595990
Molecular FormulaC24H15F2N5O2
Molecular Weight443.41 g/mol
Exact Mass443.12
IUPAC Namemethyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1
InChIInChI=1S/C24H15F2N5O2/c1-33-24(32)14-6-4-13(5-7-14)22-29-19-9-16(20-17(25)11-28-12-18(20)26)21(30-23(19)31-22)15-3-2-8-27-10-15/h2-12H,1H3,(H,29,30,31)
InChIKeyVQSFKPRSTZBSQI-UHFFFAOYSA-N
XLogP4.81
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

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Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate?
The IUPAC name of methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate (CID 59595990) is methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate?
The canonical SMILES for methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate is COC(=O)c1ccc(-c2nc3nc(-c4cccnc4)c(-c4c(F)cncc4F)cc3[nH]2)cc1.
What is the InChIKey of methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate?
The InChIKey is VQSFKPRSTZBSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N5O2/c1-33-24(32)14-6-4-13(5-7-14)22-29-19-9-16(20-17(25)11-28-12-18(20)26)21(30-23(19)31-22)15-3-2-8-27-10-15/h2-12H,1H3,(H,29,30,31).
What are the key properties of methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate?
methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate has a molecular weight of 443.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(3,5-difluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl]benzoate is sourced from PubChem (CID 59595990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).