(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone

C19H21N5O — CID 53040610

IUPAC(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C19H21N5O/c1-2-14-12-17(19(25)23-10-6-3-7-11-23)21-18-13-16(22-24(14)18)15-8-4-5-9-20-15/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeyQUQCSKLGULDRAS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.98
Rot. Bonds3

About (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone

(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 53040610) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID53040610
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C19H21N5O/c1-2-14-12-17(19(25)23-10-6-3-7-11-23)21-18-13-16(22-24(14)18)15-8-4-5-9-20-15/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeyQUQCSKLGULDRAS-UHFFFAOYSA-N
XLogP2.98
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (CID 53040610) is (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is CCc1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is QUQCSKLGULDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-14-12-17(19(25)23-10-6-3-7-11-23)21-18-13-16(22-24(14)18)15-8-4-5-9-20-15/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3.
What are the key properties of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53040610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).