[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone

C22H26N4O2 — CID 95398964

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnn2cc(CCO)cnc12)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C22H26N4O2/c27-12-10-19-13-23-21-20(14-24-26(21)16-19)22(28)25-11-4-7-18(15-25)9-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,16,18,27H,4,7-12,15H2/t18-/m1/s1
InChIKeyUDSOARRFDUWXTP-GOSISDBHSA-N
MW378.48 g/mol
LogP2.75
Rot. Bonds6

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 95398964) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID95398964
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnn2cc(CCO)cnc12)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C22H26N4O2/c27-12-10-19-13-23-21-20(14-24-26(21)16-19)22(28)25-11-4-7-18(15-25)9-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,16,18,27H,4,7-12,15H2/t18-/m1/s1
InChIKeyUDSOARRFDUWXTP-GOSISDBHSA-N
XLogP2.75
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 56869725
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95549951
4-[[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 95721678
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95716198
pyrazolo[1,5-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95549035
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95204288
[(3R,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;hydrochloride
CID 171710382
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199

Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone (CID 95398964) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1cnn2cc(CCO)cnc12)N1CCC[C@H](CCc2ccccc2)C1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is UDSOARRFDUWXTP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-12-10-19-13-23-21-20(14-24-26(21)16-19)22(28)25-11-4-7-18(15-25)9-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,16,18,27H,4,7-12,15H2/t18-/m1/s1.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95398964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).