N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide

C12H14N4O2 — CID 70038763

IUPACN-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C(C)=O)cnc2[nH]ncc12
InChIInChI=1S/C12H14N4O2/c1-3-4-10(18)15-11-8(7(2)17)5-13-12-9(11)6-14-16-12/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,18)
InChIKeyCBIJKWRJRFUIKS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.90
Rot. Bonds4

About N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide

N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide (PubChem CID 70038763) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide
PubChem CID70038763
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C(C)=O)cnc2[nH]ncc12
InChIInChI=1S/C12H14N4O2/c1-3-4-10(18)15-11-8(7(2)17)5-13-12-9(11)6-14-16-12/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,18)
InChIKeyCBIJKWRJRFUIKS-UHFFFAOYSA-N
XLogP1.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide?
The IUPAC name of N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide (CID 70038763) is N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide.
What is the SMILES notation for N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide?
The canonical SMILES for N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide is CCCC(=O)Nc1c(C(C)=O)cnc2[nH]ncc12.
What is the InChIKey of N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide?
The InChIKey is CBIJKWRJRFUIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-4-10(18)15-11-8(7(2)17)5-13-12-9(11)6-14-16-12/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,18).
What are the key properties of N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide?
N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide has a molecular weight of 246.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide is sourced from PubChem (CID 70038763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).