N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H13FN4O — CID 126475532

IUPACN-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)cc1
InChIInChI=1S/C17H13FN4O/c18-14-3-1-12(2-4-14)9-20-16-5-7-19-17-15(10-21-22(16)17)13-6-8-23-11-13/h1-8,10-11,20H,9H2
InChIKeyWIWMCIPIXYPKBU-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126475532) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126475532
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)cc1
InChIInChI=1S/C17H13FN4O/c18-14-3-1-12(2-4-14)9-20-16-5-7-19-17-15(10-21-22(16)17)13-6-8-23-11-13/h1-8,10-11,20H,9H2
InChIKeyWIWMCIPIXYPKBU-UHFFFAOYSA-N
XLogP3.74
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126475532) is N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WIWMCIPIXYPKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-14-3-1-12(2-4-14)9-20-16-5-7-19-17-15(10-21-22(16)17)13-6-8-23-11-13/h1-8,10-11,20H,9H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126475532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).