6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C20H14FN5 — CID 666394

IUPAC6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H14FN5/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)24-20(17)26(25-12)15-5-3-2-4-6-15/h2-10H,1H3,(H2,23,24)
InChIKeyCDOWYMNKXWPDQS-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.99
Rot. Bonds2

About 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 666394) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID666394
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H14FN5/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)24-20(17)26(25-12)15-5-3-2-4-6-15/h2-10H,1H3,(H2,23,24)
InChIKeyCDOWYMNKXWPDQS-UHFFFAOYSA-N
XLogP3.99
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 666394) is 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(F)cc3)c12.
What is the InChIKey of 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is CDOWYMNKXWPDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)24-20(17)26(25-12)15-5-3-2-4-6-15/h2-10H,1H3,(H2,23,24).
What are the key properties of 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 343.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 666394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).