[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C17H18N4OS — CID 110118350

IUPAC[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cc2nc(C3CCCCN3C(=O)c3cccs3)ccn2n1
InChIInChI=1S/C17H18N4OS/c1-12-11-16-18-13(7-9-21(16)19-12)14-5-2-3-8-20(14)17(22)15-6-4-10-23-15/h4,6-7,9-11,14H,2-3,5,8H2,1H3
InChIKeyPXMWGOSAOZMXKW-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.47
Rot. Bonds2

About [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110118350) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110118350
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cc2nc(C3CCCCN3C(=O)c3cccs3)ccn2n1
InChIInChI=1S/C17H18N4OS/c1-12-11-16-18-13(7-9-21(16)19-12)14-5-2-3-8-20(14)17(22)15-6-4-10-23-15/h4,6-7,9-11,14H,2-3,5,8H2,1H3
InChIKeyPXMWGOSAOZMXKW-UHFFFAOYSA-N
XLogP3.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118434
[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124680272
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]azepan-1-yl]-thiophen-2-ylmethanone
CID 110214505
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
[2-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 87052242
[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 87052153
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110132844
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46557972

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 110118350) is [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is Cc1cc2nc(C3CCCCN3C(=O)c3cccs3)ccn2n1.
What is the InChIKey of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PXMWGOSAOZMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-11-16-18-13(7-9-21(16)19-12)14-5-2-3-8-20(14)17(22)15-6-4-10-23-15/h4,6-7,9-11,14H,2-3,5,8H2,1H3.
What are the key properties of [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 326.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110118350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).