1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine

C17H14FN5 — CID 121339252

IUPAC1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(Cc4ccc(F)cc4)c3c2)cn1
InChIInChI=1S/C17H14FN5/c1-22-11-14(8-20-22)13-6-17-16(19-7-13)9-21-23(17)10-12-2-4-15(18)5-3-12/h2-9,11H,10H2,1H3
InChIKeyFYSXAJNHKUUGQS-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.02
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine

1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (PubChem CID 121339252) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
PubChem CID121339252
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(Cc4ccc(F)cc4)c3c2)cn1
InChIInChI=1S/C17H14FN5/c1-22-11-14(8-20-22)13-6-17-16(19-7-13)9-21-23(17)10-12-2-4-15(18)5-3-12/h2-9,11H,10H2,1H3
InChIKeyFYSXAJNHKUUGQS-UHFFFAOYSA-N
XLogP3.02
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (CID 121339252) is 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4)c3c2)cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is FYSXAJNHKUUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c1-22-11-14(8-20-22)13-6-17-16(19-7-13)9-21-23(17)10-12-2-4-15(18)5-3-12/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 307.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 121339252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).