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

C22H20FN5O — CID 122196351

IUPAC3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@@H]3CCCNC3)cc12
InChIInChI=1S/C22H20FN5O/c23-18-6-2-1-5-15(18)22-16-10-19(26-13-20(16)27-28-22)17-12-25-9-7-21(17)29-14-4-3-8-24-11-14/h1-2,5-7,9-10,12-14,24H,3-4,8,11H2,(H,27,28)/t14-/m1/s1
InChIKeyFHAPDLVADXCIGY-CQSZACIVSA-N
MW389.43 g/mol
LogP3.96
Rot. Bonds4

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

3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 122196351) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID122196351
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@@H]3CCCNC3)cc12
InChIInChI=1S/C22H20FN5O/c23-18-6-2-1-5-15(18)22-16-10-19(26-13-20(16)27-28-22)17-12-25-9-7-21(17)29-14-4-3-8-24-11-14/h1-2,5-7,9-10,12-14,24H,3-4,8,11H2,(H,27,28)/t14-/m1/s1
InChIKeyFHAPDLVADXCIGY-CQSZACIVSA-N
XLogP3.96
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.96
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-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 122196351) is 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@@H]3CCCNC3)cc12.
What is the InChIKey of 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FHAPDLVADXCIGY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-18-6-2-1-5-15(18)22-16-10-19(26-13-20(16)27-28-22)17-12-25-9-7-21(17)29-14-4-3-8-24-11-14/h1-2,5-7,9-10,12-14,24H,3-4,8,11H2,(H,27,28)/t14-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 389.43 g/mol, XLogP of 3.96, 4 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-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 122196351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).