4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

C17H18FN5O — CID 141188379

IUPAC4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFc1ccccc1Oc1ccnc2[nH]nc(NC3CCNCC3)c12
InChIInChI=1S/C17H18FN5O/c18-12-3-1-2-4-13(12)24-14-7-10-20-16-15(14)17(23-22-16)21-11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2,(H2,20,21,22,23)
InChIKeyGDDVYLWWTUYBGN-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.05
Rot. Bonds4

About 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 141188379) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID141188379
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFc1ccccc1Oc1ccnc2[nH]nc(NC3CCNCC3)c12
InChIInChI=1S/C17H18FN5O/c18-12-3-1-2-4-13(12)24-14-7-10-20-16-15(14)17(23-22-16)21-11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2,(H2,20,21,22,23)
InChIKeyGDDVYLWWTUYBGN-UHFFFAOYSA-N
XLogP3.05
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 141188379) is 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine is Fc1ccccc1Oc1ccnc2[nH]nc(NC3CCNCC3)c12.
What is the InChIKey of 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GDDVYLWWTUYBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-12-3-1-2-4-13(12)24-14-7-10-20-16-15(14)17(23-22-16)21-11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2,(H2,20,21,22,23).
What are the key properties of 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 327.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 141188379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).