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

C16H14F2N4O — CID 6539544

IUPACN-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C16H14F2N4O/c1-2-4-13(23)20-16-11-7-9(8-19-15(11)21-22-16)10-5-3-6-12(17)14(10)18/h3,5-8H,2,4H2,1H3,(H2,19,20,21,22,23)
InChIKeyFMBUJPKXYCHTCB-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.64
Rot. Bonds4

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

N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (PubChem CID 6539544) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
PubChem CID6539544
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C16H14F2N4O/c1-2-4-13(23)20-16-11-7-9(8-19-15(11)21-22-16)10-5-3-6-12(17)14(10)18/h3,5-8H,2,4H2,1H3,(H2,19,20,21,22,23)
InChIKeyFMBUJPKXYCHTCB-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (CID 6539544) is N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is CCCC(=O)Nc1[nH]nc2ncc(-c3cccc(F)c3F)cc12.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The InChIKey is FMBUJPKXYCHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-2-4-13(23)20-16-11-7-9(8-19-15(11)21-22-16)10-5-3-6-12(17)14(10)18/h3,5-8H,2,4H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide has a molecular weight of 316.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 6539544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).