[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

C20H24N4O2S — CID 126447398

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ncc(CCO)cn2n1)N1CCCC[C@H]1CCc1cccs1
InChIInChI=1S/C20H24N4O2S/c25-10-8-15-13-21-19-12-18(22-24(19)14-15)20(26)23-9-2-1-4-16(23)6-7-17-5-3-11-27-17/h3,5,11-14,16,25H,1-2,4,6-10H2/t16-/m0/s1
InChIKeyDDJOYWLVAFDKLT-INIZCTEOSA-N
MW384.51 g/mol
LogP2.95
Rot. Bonds6

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 126447398) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
PubChem CID126447398
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ncc(CCO)cn2n1)N1CCCC[C@H]1CCc1cccs1
InChIInChI=1S/C20H24N4O2S/c25-10-8-15-13-21-19-12-18(22-24(19)14-15)20(26)23-9-2-1-4-16(23)6-7-17-5-3-11-27-17/h3,5,11-14,16,25H,1-2,4,6-10H2/t16-/m0/s1
InChIKeyDDJOYWLVAFDKLT-INIZCTEOSA-N
XLogP2.95
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
[(2R)-2-[2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 42499749
[2-[2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 45230722
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561

Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (CID 126447398) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is O=C(c1cc2ncc(CCO)cn2n1)N1CCCC[C@H]1CCc1cccs1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is DDJOYWLVAFDKLT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-10-8-15-13-21-19-12-18(22-24(19)14-15)20(26)23-9-2-1-4-16(23)6-7-17-5-3-11-27-17/h3,5,11-14,16,25H,1-2,4,6-10H2/t16-/m0/s1.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 384.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126447398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).