N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C14H13N7O — CID 90106308

IUPACN-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2nc(-c3ccco3)nc3cn[nH]c23)cnn1C
InChIInChI=1S/C14H13N7O/c1-8-9(7-16-21(8)2)17-14-12-10(6-15-20-12)18-13(19-14)11-4-3-5-22-11/h3-7H,1-2H3,(H,15,20)(H,17,18,19)
InChIKeySPFBKJVEAHKQDQ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.40
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90106308) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90106308
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2nc(-c3ccco3)nc3cn[nH]c23)cnn1C
InChIInChI=1S/C14H13N7O/c1-8-9(7-16-21(8)2)17-14-12-10(6-15-20-12)18-13(19-14)11-4-3-5-22-11/h3-7H,1-2H3,(H,15,20)(H,17,18,19)
InChIKeySPFBKJVEAHKQDQ-UHFFFAOYSA-N
XLogP2.40
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90106308) is N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Cc1c(Nc2nc(-c3ccco3)nc3cn[nH]c23)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SPFBKJVEAHKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-8-9(7-16-21(8)2)17-14-12-10(6-15-20-12)18-13(19-14)11-4-3-5-22-11/h3-7H,1-2H3,(H,15,20)(H,17,18,19).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 295.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90106308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).