3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C23H22FN5O — CID 71253884

IUPAC3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCCNC3)cc12
InChIInChI=1S/C23H22FN5O/c24-19-6-2-1-5-16(19)23-17-10-20(27-13-21(17)28-29-23)18-12-26-9-7-22(18)30-14-15-4-3-8-25-11-15/h1-2,5-7,9-10,12-13,15,25H,3-4,8,11,14H2,(H,28,29)
InChIKeyFCRIHMREFBZVTE-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.20
Rot. Bonds5

About 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253884) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253884
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCCNC3)cc12
InChIInChI=1S/C23H22FN5O/c24-19-6-2-1-5-16(19)23-17-10-20(27-13-21(17)28-29-23)18-12-26-9-7-22(18)30-14-15-4-3-8-25-11-15/h1-2,5-7,9-10,12-13,15,25H,3-4,8,11,14H2,(H,28,29)
InChIKeyFCRIHMREFBZVTE-UHFFFAOYSA-N
XLogP4.20
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 71253884) is 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCCNC3)cc12.
What is the InChIKey of 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FCRIHMREFBZVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-19-6-2-1-5-16(19)23-17-10-20(27-13-21(17)28-29-23)18-12-26-9-7-22(18)30-14-15-4-3-8-25-11-15/h1-2,5-7,9-10,12-13,15,25H,3-4,8,11,14H2,(H,28,29).
What are the key properties of 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 403.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).