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

C20H16FN5O — CID 71253658

IUPAC5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC3CNC3)cc12
InChIInChI=1S/C20H16FN5O/c21-16-4-2-1-3-13(16)20-14-7-17(24-11-18(14)25-26-20)15-10-22-6-5-19(15)27-12-8-23-9-12/h1-7,10-12,23H,8-9H2,(H,25,26)
InChIKeyYYHAIOBDMGQKDY-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.18
Rot. Bonds4

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

5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253658) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253658
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC3CNC3)cc12
InChIInChI=1S/C20H16FN5O/c21-16-4-2-1-3-13(16)20-14-7-17(24-11-18(14)25-26-20)15-10-22-6-5-19(15)27-12-8-23-9-12/h1-7,10-12,23H,8-9H2,(H,25,26)
InChIKeyYYHAIOBDMGQKDY-UHFFFAOYSA-N
XLogP3.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1H-pyridin-4-one
CID 71267884
3-(2-fluorophenyl)-5-(6-piperidin-1-ylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 123624440
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116416
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137111299
3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136944247
1-[5-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]azepan-4-amine
CID 71253819
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137311707
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136944238
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113403
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137311339

Frequently Asked Questions

What is the IUPAC name of 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine (CID 71253658) is 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC3CNC3)cc12.
What is the InChIKey of 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is YYHAIOBDMGQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-4-2-1-3-13(16)20-14-7-17(24-11-18(14)25-26-20)15-10-22-6-5-19(15)27-12-8-23-9-12/h1-7,10-12,23H,8-9H2,(H,25,26).
What are the key properties of 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 361.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azetidin-3-yloxy)-3-pyridinyl]-3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).