5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine

C23H18N4O — CID 135843025

IUPAC5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(COc2ccc(-c3cnc4n[nH]c(-c5ccc[nH]5)c4c3)cc2)cc1
InChIInChI=1S/C23H18N4O/c1-2-5-16(6-3-1)15-28-19-10-8-17(9-11-19)18-13-20-22(21-7-4-12-24-21)26-27-23(20)25-14-18/h1-14,24H,15H2,(H,25,26,27)
InChIKeyDRDGXYBDWOPMDB-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.20
Rot. Bonds5

About 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 135843025) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID135843025
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(COc2ccc(-c3cnc4n[nH]c(-c5ccc[nH]5)c4c3)cc2)cc1
InChIInChI=1S/C23H18N4O/c1-2-5-16(6-3-1)15-28-19-10-8-17(9-11-19)18-13-20-22(21-7-4-12-24-21)26-27-23(20)25-14-18/h1-14,24H,15H2,(H,25,26,27)
InChIKeyDRDGXYBDWOPMDB-UHFFFAOYSA-N
XLogP5.20
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280863
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
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
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
5-dibenzofuran-4-yl-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135525264
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
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-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
N-[[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137145078
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 135843025) is 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1ccc(COc2ccc(-c3cnc4n[nH]c(-c5ccc[nH]5)c4c3)cc2)cc1.
What is the InChIKey of 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is DRDGXYBDWOPMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-5-16(6-3-1)15-28-19-10-8-17(9-11-19)18-13-20-22(21-7-4-12-24-21)26-27-23(20)25-14-18/h1-14,24H,15H2,(H,25,26,27).
What are the key properties of 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 366.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135843025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).