N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide

C16H15FN4O — CID 6539542

IUPACN-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3F)cc12
InChIInChI=1S/C16H15FN4O/c1-2-5-14(22)19-16-12-8-10(9-18-15(12)20-21-16)11-6-3-4-7-13(11)17/h3-4,6-9H,2,5H2,1H3,(H2,18,19,20,21,22)
InChIKeyUJSQNTWNRHAOBC-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.50
Rot. Bonds4

About N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide

N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (PubChem CID 6539542) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
PubChem CID6539542
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC NameN-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3F)cc12
InChIInChI=1S/C16H15FN4O/c1-2-5-14(22)19-16-12-8-10(9-18-15(12)20-21-16)11-6-3-4-7-13(11)17/h3-4,6-9H,2,5H2,1H3,(H2,18,19,20,21,22)
InChIKeyUJSQNTWNRHAOBC-UHFFFAOYSA-N
XLogP3.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (CID 6539542) is N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is CCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3F)cc12.
What is the InChIKey of N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The InChIKey is UJSQNTWNRHAOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-2-5-14(22)19-16-12-8-10(9-18-15(12)20-21-16)11-6-3-4-7-13(11)17/h3-4,6-9H,2,5H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide has a molecular weight of 298.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 6539542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).