2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile

C20H16N6 — CID 21065645

IUPAC2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
SMILESN#CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H16N6/c21-9-8-17-14-24-26-19(23-13-15-5-4-10-22-12-15)11-18(25-20(17)26)16-6-2-1-3-7-16/h1-7,10-12,14,23H,8,13H2
InChIKeyKGZGAYPHWQMSJX-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.47
Rot. Bonds5

About 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile

2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile (PubChem CID 21065645) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
PubChem CID21065645
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
SMILESN#CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H16N6/c21-9-8-17-14-24-26-19(23-13-15-5-4-10-22-12-15)11-18(25-20(17)26)16-6-2-1-3-7-16/h1-7,10-12,14,23H,8,13H2
InChIKeyKGZGAYPHWQMSJX-UHFFFAOYSA-N
XLogP3.47
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
The IUPAC name of 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile (CID 21065645) is 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile is N#CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
The InChIKey is KGZGAYPHWQMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c21-9-8-17-14-24-26-19(23-13-15-5-4-10-22-12-15)11-18(25-20(17)26)16-6-2-1-3-7-16/h1-7,10-12,14,23H,8,13H2.
What are the key properties of 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile has a molecular weight of 340.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile is sourced from PubChem (CID 21065645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).