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

C24H17N7O — CID 137056908

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(COc2cncc(-c3cnc4n[nH]c(-c5nc6ncccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C24H17N7O/c1-2-5-15(6-3-1)14-32-18-9-16(11-25-13-18)17-10-19-21(30-31-22(19)27-12-17)24-28-20-7-4-8-26-23(20)29-24/h1-13H,14H2,(H,26,28,29)(H,27,30,31)
InChIKeyMJBXCEVAPIZLAB-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.54
Rot. Bonds5

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

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056908) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056908
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(COc2cncc(-c3cnc4n[nH]c(-c5nc6ncccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C24H17N7O/c1-2-5-15(6-3-1)14-32-18-9-16(11-25-13-18)17-10-19-21(30-31-22(19)27-12-17)24-28-20-7-4-8-26-23(20)29-24/h1-13H,14H2,(H,26,28,29)(H,27,30,31)
InChIKeyMJBXCEVAPIZLAB-UHFFFAOYSA-N
XLogP4.54
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056894
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280863
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137040247
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056909
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137311162
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137281481
2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 59243231
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 138604339
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055333
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137040563
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936838

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 137056908) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is c1ccc(COc2cncc(-c3cnc4n[nH]c(-c5nc6ncccc6[nH]5)c4c3)c2)cc1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MJBXCEVAPIZLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-2-5-15(6-3-1)14-32-18-9-16(11-25-13-18)17-10-19-21(30-31-22(19)27-12-17)24-28-20-7-4-8-26-23(20)29-24/h1-13H,14H2,(H,26,28,29)(H,27,30,31).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 419.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).