1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone

C19H21N5O2 — CID 46974022

IUPAC1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESCn1nc(C2CCN(C(=O)COc3ccccc3)CC2)c2nccnc21
InChIInChI=1S/C19H21N5O2/c1-23-19-18(20-9-10-21-19)17(22-23)14-7-11-24(12-8-14)16(25)13-26-15-5-3-2-4-6-15/h2-6,9-10,14H,7-8,11-13H2,1H3
InChIKeyZIEPEZZIUXEFIA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 46974022) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID46974022
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESCn1nc(C2CCN(C(=O)COc3ccccc3)CC2)c2nccnc21
InChIInChI=1S/C19H21N5O2/c1-23-19-18(20-9-10-21-19)17(22-23)14-7-11-24(12-8-14)16(25)13-26-15-5-3-2-4-6-15/h2-6,9-10,14H,7-8,11-13H2,1H3
InChIKeyZIEPEZZIUXEFIA-UHFFFAOYSA-N
XLogP2.15
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 46974021
3-methyl-1-[4-[1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazin-3-yl]piperidin-1-yl]butan-1-one
CID 95855367
1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110085539
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 92596278
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
CID 110089991
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 16617347
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51587835

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone (CID 46974022) is 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone is Cn1nc(C2CCN(C(=O)COc3ccccc3)CC2)c2nccnc21.
What is the InChIKey of 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is ZIEPEZZIUXEFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-19-18(20-9-10-21-19)17(22-23)14-7-11-24(12-8-14)16(25)13-26-15-5-3-2-4-6-15/h2-6,9-10,14H,7-8,11-13H2,1H3.
What are the key properties of 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 351.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 46974022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).