2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C17H20N4S — CID 24865245

IUPAC2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(C3CCNCC3)ccnc2c1-c1cccs1
InChIInChI=1S/C17H20N4S/c1-2-13-16(15-4-3-11-22-15)17-19-10-7-14(21(17)20-13)12-5-8-18-9-6-12/h3-4,7,10-12,18H,2,5-6,8-9H2,1H3
InChIKeyDWQVBIZTUGSLAO-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.49
Rot. Bonds3

About 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 24865245) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID24865245
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(C3CCNCC3)ccnc2c1-c1cccs1
InChIInChI=1S/C17H20N4S/c1-2-13-16(15-4-3-11-22-15)17-19-10-7-14(21(17)20-13)12-5-8-18-9-6-12/h3-4,7,10-12,18H,2,5-6,8-9H2,1H3
InChIKeyDWQVBIZTUGSLAO-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
2-methyl-3-phenyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CID 1972658
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
Pyrazolo[1,5-a]-1,3,5-triazine, 13-10
CID 42618216
CID 49830886
CID 49830886

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 24865245) is 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is CCc1nn2c(C3CCNCC3)ccnc2c1-c1cccs1.
What is the InChIKey of 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DWQVBIZTUGSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-2-13-16(15-4-3-11-22-15)17-19-10-7-14(21(17)20-13)12-5-8-18-9-6-12/h3-4,7,10-12,18H,2,5-6,8-9H2,1H3.
What are the key properties of 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 312.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-piperidin-4-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24865245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).