5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile

C16H14FN5 — CID 58209112

IUPAC5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile
SMILESCC(C)n1nc(-c2ccc(F)c(C#N)c2)c2c(N)nccc21
InChIInChI=1S/C16H14FN5/c1-9(2)22-13-5-6-20-16(19)14(13)15(21-22)10-3-4-12(17)11(7-10)8-18/h3-7,9H,1-2H3,(H2,19,20)
InChIKeyOSYHTKVXXOEPCO-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.27
Rot. Bonds2

About 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile

5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile (PubChem CID 58209112) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile
PubChem CID58209112
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile
SMILESCC(C)n1nc(-c2ccc(F)c(C#N)c2)c2c(N)nccc21
InChIInChI=1S/C16H14FN5/c1-9(2)22-13-5-6-20-16(19)14(13)15(21-22)10-3-4-12(17)11(7-10)8-18/h3-7,9H,1-2H3,(H2,19,20)
InChIKeyOSYHTKVXXOEPCO-UHFFFAOYSA-N
XLogP3.27
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile?
The IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile (CID 58209112) is 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile is CC(C)n1nc(-c2ccc(F)c(C#N)c2)c2c(N)nccc21.
What is the InChIKey of 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile?
The InChIKey is OSYHTKVXXOEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-9(2)22-13-5-6-20-16(19)14(13)15(21-22)10-3-4-12(17)11(7-10)8-18/h3-7,9H,1-2H3,(H2,19,20).
What are the key properties of 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile?
5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 58209112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).