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

C31H22N6O — CID 137280752

IUPAC5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(COc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccnc7)cccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C31H22N6O/c1-2-6-20(7-3-1)19-38-24-12-22(16-33-18-24)23-13-27-30(36-37-31(27)34-17-23)29-14-26-25(9-4-10-28(26)35-29)21-8-5-11-32-15-21/h1-18,35H,19H2,(H,34,36,37)
InChIKeyHBGRNCOXPHMRAI-UHFFFAOYSA-N
MW494.56 g/mol
LogP6.81
Rot. Bonds6

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

5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137280752) has the molecular formula C31H22N6O and a molecular weight of 494.56 g/mol. Its IUPAC name is 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137280752
Molecular FormulaC31H22N6O
Molecular Weight494.56 g/mol
Exact Mass494.19
IUPAC Name5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(COc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccnc7)cccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C31H22N6O/c1-2-6-20(7-3-1)19-38-24-12-22(16-33-18-24)23-13-27-30(36-37-31(27)34-17-23)29-14-26-25(9-4-10-28(26)35-29)21-8-5-11-32-15-21/h1-18,35H,19H2,(H,34,36,37)
InChIKeyHBGRNCOXPHMRAI-UHFFFAOYSA-N
XLogP6.81
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137040412
N-[[3-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]ethanamine
CID 137087602
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
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280821
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
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
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137040180
5-(5-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145247214

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137280752) is 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1ccc(COc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccnc7)cccc6[nH]5)c4c3)c2)cc1.
What is the InChIKey of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HBGRNCOXPHMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6O/c1-2-6-20(7-3-1)19-38-24-12-22(16-33-18-24)23-13-27-30(36-37-31(27)34-17-23)29-14-26-25(9-4-10-28(26)35-29)21-8-5-11-32-15-21/h1-18,35H,19H2,(H,34,36,37).
What are the key properties of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 494.56 g/mol, XLogP of 6.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137280752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).