6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine

C20H16FN3O2 — CID 24786010

IUPAC6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(OC)cc(-c2ccc3c(-c4ccc(F)cc4)[nH]nc3n2)c1
InChIInChI=1S/C20H16FN3O2/c1-25-15-9-13(10-16(11-15)26-2)18-8-7-17-19(23-24-20(17)22-18)12-3-5-14(21)6-4-12/h3-11H,1-2H3,(H,22,23,24)
InChIKeyCAMGZGMEPKFVMF-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.45
Rot. Bonds4

About 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine

6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 24786010) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID24786010
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(OC)cc(-c2ccc3c(-c4ccc(F)cc4)[nH]nc3n2)c1
InChIInChI=1S/C20H16FN3O2/c1-25-15-9-13(10-16(11-15)26-2)18-8-7-17-19(23-24-20(17)22-18)12-3-5-14(21)6-4-12/h3-11H,1-2H3,(H,22,23,24)
InChIKeyCAMGZGMEPKFVMF-UHFFFAOYSA-N
XLogP4.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]-1,3,5-triazine, 12-21
CID 42618183
N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539570
Pyrazolo[1,5-a]-1,3,5-triazine, 12-24
CID 42618186
5-(3,5-Dimethoxybenzyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 67042932
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-methylquinazolin-4-amine
CID 127047295
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-ethyl-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127047296
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine
CID 127047297
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 168281162
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
3-(5-(3-amino-3-methylbutyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11510421
3-(5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11568224
3-[3-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-5-fluoro-phenoxy]-5-chloro-benzonitrile
CID 16045494

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine (CID 24786010) is 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine is COc1cc(OC)cc(-c2ccc3c(-c4ccc(F)cc4)[nH]nc3n2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is CAMGZGMEPKFVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-25-15-9-13(10-16(11-15)26-2)18-8-7-17-19(23-24-20(17)22-18)12-3-5-14(21)6-4-12/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine?
6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 349.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 24786010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).