6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide

C17H14N6O2 — CID 22015504

IUPAC6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide
SMILESNc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C17H14N6O2/c18-16-21-14(13-7-4-8-25-13)12-10-20-23(15(12)22-16)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22)
InChIKeyQJFITZRFGJYVRW-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.43
Rot. Bonds3

About 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide

6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide (PubChem CID 22015504) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide
PubChem CID22015504
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide
SMILESNc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C17H14N6O2/c18-16-21-14(13-7-4-8-25-13)12-10-20-23(15(12)22-16)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22)
InChIKeyQJFITZRFGJYVRW-UHFFFAOYSA-N
XLogP2.43
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide?
The IUPAC name of 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide (CID 22015504) is 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide.
What is the SMILES notation for 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide?
The canonical SMILES for 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide is Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1.
What is the InChIKey of 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide?
The InChIKey is QJFITZRFGJYVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c18-16-21-14(13-7-4-8-25-13)12-10-20-23(15(12)22-16)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22).
What are the key properties of 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide?
6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidine-1-carboxamide is sourced from PubChem (CID 22015504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).