5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H14FN7 — CID 56887594

IUPAC5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2cnn3cccnc23)n2nccc2n1
InChIInChI=1S/C19H14FN7/c20-15-5-2-1-4-14(15)16-10-18(27-17(25-16)6-8-23-27)22-11-13-12-24-26-9-3-7-21-19(13)26/h1-10,12,22H,11H2
InChIKeyJJDNEENDVBJQFX-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.19
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56887594) has the molecular formula C19H14FN7 and a molecular weight of 359.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56887594
Molecular FormulaC19H14FN7
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2cnn3cccnc23)n2nccc2n1
InChIInChI=1S/C19H14FN7/c20-15-5-2-1-4-14(15)16-10-18(27-17(25-16)6-8-23-27)22-11-13-12-24-26-9-3-7-21-19(13)26/h1-10,12,22H,11H2
InChIKeyJJDNEENDVBJQFX-UHFFFAOYSA-N
XLogP3.19
TPSA72.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56887594) is 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccccc1-c1cc(NCc2cnn3cccnc23)n2nccc2n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JJDNEENDVBJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7/c20-15-5-2-1-4-14(15)16-10-18(27-17(25-16)6-8-23-27)22-11-13-12-24-26-9-3-7-21-19(13)26/h1-10,12,22H,11H2.
What are the key properties of 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 359.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56887594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).