3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C17H14FN5O — CID 71253637

IUPAC3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1ccc(F)c(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C17H14FN5O/c1-23-9-10(7-20-23)15-6-13-16(8-19-15)21-22-17(13)12-5-11(24-2)3-4-14(12)18/h3-9H,1-2H3,(H,21,22)
InChIKeyHKDNCYDMZJZYGM-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.17
Rot. Bonds3

About 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253637) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253637
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1ccc(F)c(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C17H14FN5O/c1-23-9-10(7-20-23)15-6-13-16(8-19-15)21-22-17(13)12-5-11(24-2)3-4-14(12)18/h3-9H,1-2H3,(H,21,22)
InChIKeyHKDNCYDMZJZYGM-UHFFFAOYSA-N
XLogP3.17
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 71253637) is 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is COc1ccc(F)c(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)c1.
What is the InChIKey of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is HKDNCYDMZJZYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-23-9-10(7-20-23)15-6-13-16(8-19-15)21-22-17(13)12-5-11(24-2)3-4-14(12)18/h3-9H,1-2H3,(H,21,22).
What are the key properties of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 323.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).