2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

C20H19FN6O — CID 155566881

IUPAC2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1F
InChIInChI=1S/C20H19FN6O/c21-16-9-12(1-4-18(16)28)17-3-2-15-19(25-26-20(15)24-17)13-10-23-27(11-13)14-5-7-22-8-6-14/h1-4,9-11,14,22,28H,5-8H2,(H,24,25,26)
InChIKeyBFLCZTCSJCHSAL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.26
Rot. Bonds3

About 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 155566881) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID155566881
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1F
InChIInChI=1S/C20H19FN6O/c21-16-9-12(1-4-18(16)28)17-3-2-15-19(25-26-20(15)24-17)13-10-23-27(11-13)14-5-7-22-8-6-14/h1-4,9-11,14,22,28H,5-8H2,(H,24,25,26)
InChIKeyBFLCZTCSJCHSAL-UHFFFAOYSA-N
XLogP3.26
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 155566881) is 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is BFLCZTCSJCHSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-16-9-12(1-4-18(16)28)17-3-2-15-19(25-26-20(15)24-17)13-10-23-27(11-13)14-5-7-22-8-6-14/h1-4,9-11,14,22,28H,5-8H2,(H,24,25,26).
What are the key properties of 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 378.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 155566881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).