3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

C24H17N7O — CID 137042194

IUPAC3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cccnc6)nc45)[nH]c23)c1
InChIInChI=1S/C24H17N7O/c1-32-16-6-2-4-14(12-16)17-9-11-26-23-20(17)28-24(29-23)22-21-19(30-31-22)8-7-18(27-21)15-5-3-10-25-13-15/h2-13H,1H3,(H,30,31)(H,26,28,29)
InChIKeyZVGOSHRJQTUKMZ-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.63
Rot. Bonds4

About 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine

3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137042194) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137042194
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cccnc6)nc45)[nH]c23)c1
InChIInChI=1S/C24H17N7O/c1-32-16-6-2-4-14(12-16)17-9-11-26-23-20(17)28-24(29-23)22-21-19(30-31-22)8-7-18(27-21)15-5-3-10-25-13-15/h2-13H,1H3,(H,30,31)(H,26,28,29)
InChIKeyZVGOSHRJQTUKMZ-UHFFFAOYSA-N
XLogP4.63
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (CID 137042194) is 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is COc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cccnc6)nc45)[nH]c23)c1.
What is the InChIKey of 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is ZVGOSHRJQTUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-32-16-6-2-4-14(12-16)17-9-11-26-23-20(17)28-24(29-23)22-21-19(30-31-22)8-7-18(27-21)15-5-3-10-25-13-15/h2-13H,1H3,(H,30,31)(H,26,28,29).
What are the key properties of 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 419.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137042194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).