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

C20H23N5O — CID 53040592

IUPAC(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCCCC2C)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C20H23N5O/c1-3-15-12-18(20(26)24-11-7-5-8-14(24)2)22-19-13-17(23-25(15)19)16-9-4-6-10-21-16/h4,6,9-10,12-14H,3,5,7-8,11H2,1-2H3
InChIKeyYAVKJDAFUSDEAL-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.37
Rot. Bonds3

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

(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 53040592) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID53040592
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCCCC2C)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C20H23N5O/c1-3-15-12-18(20(26)24-11-7-5-8-14(24)2)22-19-13-17(23-25(15)19)16-9-4-6-10-21-16/h4,6,9-10,12-14H,3,5,7-8,11H2,1-2H3
InChIKeyYAVKJDAFUSDEAL-UHFFFAOYSA-N
XLogP3.37
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.37
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)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone (CID 53040592) is (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone is CCc1cc(C(=O)N2CCCCC2C)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YAVKJDAFUSDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-15-12-18(20(26)24-11-7-5-8-14(24)2)22-19-13-17(23-25(15)19)16-9-4-6-10-21-16/h4,6,9-10,12-14H,3,5,7-8,11H2,1-2H3.
What are the key properties of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone?
(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 3.37, 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)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53040592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).