2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

C17H14FN5O — CID 127045700

IUPAC2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1
InChIInChI=1S/C17H14FN5O/c1-10-5-6-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-3-2-4-12(18)7-11/h2-7,9H,8H2,1H3,(H2,19,20,21)
InChIKeyQGMRAKXTMHZKRI-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.16
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127045700) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127045700
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1
InChIInChI=1S/C17H14FN5O/c1-10-5-6-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-3-2-4-12(18)7-11/h2-7,9H,8H2,1H3,(H2,19,20,21)
InChIKeyQGMRAKXTMHZKRI-UHFFFAOYSA-N
XLogP3.16
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127045700) is 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is Cc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is QGMRAKXTMHZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-10-5-6-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-3-2-4-12(18)7-11/h2-7,9H,8H2,1H3,(H2,19,20,21).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 323.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127045700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).