[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C23H21FN6O2 — CID 136508145

IUPAC[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)N3CCNCC3c3cccnc3)c12
InChIInChI=1S/C23H21FN6O2/c1-13-21-16(23(32)30-8-7-26-12-19(30)15-3-2-6-25-11-15)10-18(27-22(21)29-28-13)14-4-5-20(31)17(24)9-14/h2-6,9-11,19,26,31H,7-8,12H2,1H3,(H,27,28,29)
InChIKeyFGUONHXZHYVQMM-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.96
Rot. Bonds3

About [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 136508145) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID136508145
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)N3CCNCC3c3cccnc3)c12
InChIInChI=1S/C23H21FN6O2/c1-13-21-16(23(32)30-8-7-26-12-19(30)15-3-2-6-25-11-15)10-18(27-22(21)29-28-13)14-4-5-20(31)17(24)9-14/h2-6,9-11,19,26,31H,7-8,12H2,1H3,(H,27,28,29)
InChIKeyFGUONHXZHYVQMM-UHFFFAOYSA-N
XLogP2.96
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 136508145) is [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)N3CCNCC3c3cccnc3)c12.
What is the InChIKey of [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is FGUONHXZHYVQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-13-21-16(23(32)30-8-7-26-12-19(30)15-3-2-6-25-11-15)10-18(27-22(21)29-28-13)14-4-5-20(31)17(24)9-14/h2-6,9-11,19,26,31H,7-8,12H2,1H3,(H,27,28,29).
What are the key properties of [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 432.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).