3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine

C20H18FN5O — CID 71253592

IUPAC3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1nn(C2CCCCO2)c2cnc(-c3cn[nH]c3)cc12
InChIInChI=1S/C20H18FN5O/c21-16-6-2-1-5-14(16)20-15-9-17(13-10-23-24-11-13)22-12-18(15)26(25-20)19-7-3-4-8-27-19/h1-2,5-6,9-12,19H,3-4,7-8H2,(H,23,24)
InChIKeyPBNDXLMPIQITIE-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.33
Rot. Bonds3

About 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine

3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine (PubChem CID 71253592) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine
PubChem CID71253592
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1nn(C2CCCCO2)c2cnc(-c3cn[nH]c3)cc12
InChIInChI=1S/C20H18FN5O/c21-16-6-2-1-5-14(16)20-15-9-17(13-10-23-24-11-13)22-12-18(15)26(25-20)19-7-3-4-8-27-19/h1-2,5-6,9-12,19H,3-4,7-8H2,(H,23,24)
InChIKeyPBNDXLMPIQITIE-UHFFFAOYSA-N
XLogP4.33
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine (CID 71253592) is 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1nn(C2CCCCO2)c2cnc(-c3cn[nH]c3)cc12.
What is the InChIKey of 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is PBNDXLMPIQITIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-16-6-2-1-5-14(16)20-15-9-17(13-10-23-24-11-13)22-12-18(15)26(25-20)19-7-3-4-8-27-19/h1-2,5-6,9-12,19H,3-4,7-8H2,(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine?
3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 363.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(oxan-2-yl)-5-(1H-pyrazol-4-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).