1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone

C19H22N6O — CID 133342484

IUPAC1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
SMILESO=C(CNc1ncnc2[nH]ncc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N6O/c26-17(12-20-18-16-11-23-24-19(16)22-13-21-18)25-8-6-15(7-9-25)10-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H2,20,21,22,23,24)
InChIKeyFJLIQMXQDZYBKM-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone

1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone (PubChem CID 133342484) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
PubChem CID133342484
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
SMILESO=C(CNc1ncnc2[nH]ncc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N6O/c26-17(12-20-18-16-11-23-24-19(16)22-13-21-18)25-8-6-15(7-9-25)10-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H2,20,21,22,23,24)
InChIKeyFJLIQMXQDZYBKM-UHFFFAOYSA-N
XLogP2.25
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone with MolForge

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Related Compounds

5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
1-(4-benzylpiperidin-1-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanone
CID 133342478
2-(4-chloroanilino)-1-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone
CID 118906710
1-(4-benzylpiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 8706744
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone
CID 69099976
1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081904
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone (CID 133342484) is 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone is O=C(CNc1ncnc2[nH]ncc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone?
The InChIKey is FJLIQMXQDZYBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-17(12-20-18-16-11-23-24-19(16)22-13-21-18)25-8-6-15(7-9-25)10-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H2,20,21,22,23,24).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone has a molecular weight of 350.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone is sourced from PubChem (CID 133342484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).