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

C19H27N5O — CID 46974021

IUPAC2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCN(C(=O)CC3CCCCC3)CC2)c2nccnc21
InChIInChI=1S/C19H27N5O/c1-23-19-18(20-9-10-21-19)17(22-23)15-7-11-24(12-8-15)16(25)13-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-13H2,1H3
InChIKeyIEVSBVBWXFJAGB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.04
Rot. Bonds3

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

2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone (PubChem CID 46974021) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
PubChem CID46974021
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCN(C(=O)CC3CCCCC3)CC2)c2nccnc21
InChIInChI=1S/C19H27N5O/c1-23-19-18(20-9-10-21-19)17(22-23)15-7-11-24(12-8-15)16(25)13-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-13H2,1H3
InChIKeyIEVSBVBWXFJAGB-UHFFFAOYSA-N
XLogP3.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 46974022
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 95853462
3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
CID 110089991
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
CID 110258350
1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
CID 92577940
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746
1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol
CID 95826916
1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
CID 110269050

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone (CID 46974021) is 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone is Cn1nc(C2CCN(C(=O)CC3CCCCC3)CC2)c2nccnc21.
What is the InChIKey of 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is IEVSBVBWXFJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-19-18(20-9-10-21-19)17(22-23)15-7-11-24(12-8-15)16(25)13-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-13H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46974021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).