2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide

C16H13N7O2 — CID 23546893

IUPAC2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide
SMILESNc1nc(-c2ccco2)c2cnn(CC(=O)Nc3ccccn3)c2n1
InChIInChI=1S/C16H13N7O2/c17-16-21-14(11-4-3-7-25-11)10-8-19-23(15(10)22-16)9-13(24)20-12-5-1-2-6-18-12/h1-8H,9H2,(H2,17,21,22)(H,18,20,24)
InChIKeyJITWVSAHLGXOFO-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.70
Rot. Bonds4

About 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide

2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 23546893) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID23546893
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide
SMILESNc1nc(-c2ccco2)c2cnn(CC(=O)Nc3ccccn3)c2n1
InChIInChI=1S/C16H13N7O2/c17-16-21-14(11-4-3-7-25-11)10-8-19-23(15(10)22-16)9-13(24)20-12-5-1-2-6-18-12/h1-8H,9H2,(H2,17,21,22)(H,18,20,24)
InChIKeyJITWVSAHLGXOFO-UHFFFAOYSA-N
XLogP1.70
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide (CID 23546893) is 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide is Nc1nc(-c2ccco2)c2cnn(CC(=O)Nc3ccccn3)c2n1.
What is the InChIKey of 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is JITWVSAHLGXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c17-16-21-14(11-4-3-7-25-11)10-8-19-23(15(10)22-16)9-13(24)20-12-5-1-2-6-18-12/h1-8H,9H2,(H2,17,21,22)(H,18,20,24).
What are the key properties of 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide?
2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 335.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23546893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).