[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C17H18N4OS — CID 110132844

IUPAC[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cc2nc(C3CCN(C(=O)c4ccsc4)CC3)ccn2n1
InChIInChI=1S/C17H18N4OS/c1-12-10-16-18-15(4-8-21(16)19-12)13-2-6-20(7-3-13)17(22)14-5-9-23-11-14/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyDKDLXEOJYDRQPH-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.12
Rot. Bonds2

About [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 110132844) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID110132844
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cc2nc(C3CCN(C(=O)c4ccsc4)CC3)ccn2n1
InChIInChI=1S/C17H18N4OS/c1-12-10-16-18-15(4-8-21(16)19-12)13-2-6-20(7-3-13)17(22)14-5-9-23-11-14/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyDKDLXEOJYDRQPH-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110132814
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
(3,4-dichlorophenyl)-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 110245805
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192432
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 71780427
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 92553677
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136850277

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 110132844) is [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone is Cc1cc2nc(C3CCN(C(=O)c4ccsc4)CC3)ccn2n1.
What is the InChIKey of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is DKDLXEOJYDRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-10-16-18-15(4-8-21(16)19-12)13-2-6-20(7-3-13)17(22)14-5-9-23-11-14/h4-5,8-11,13H,2-3,6-7H2,1H3.
What are the key properties of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 326.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 110132844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).