2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one

C15H21N5O — CID 92552953

IUPAC2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1
InChIInChI=1S/C15H21N5O/c1-10(2)15(21)20-8-4-5-11(9-20)12-13-14(19(3)18-12)17-7-6-16-13/h6-7,10-11H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyONDZJUQYKVXAGG-NSHDSACASA-N
MW287.37 g/mol
LogP1.73
Rot. Bonds2

About 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one

2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 92552953) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
PubChem CID92552953
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1
InChIInChI=1S/C15H21N5O/c1-10(2)15(21)20-8-4-5-11(9-20)12-13-14(19(3)18-12)17-7-6-16-13/h6-7,10-11H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyONDZJUQYKVXAGG-NSHDSACASA-N
XLogP1.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 110234151
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
2-(2,4-difluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 110234161
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95851356
(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51587835
(2,3-dimethoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110236539
2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 46974021
1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
CID 110269050
1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 95853481
1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032
(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
CID 110258350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one (CID 92552953) is 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1.
What is the InChIKey of 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is ONDZJUQYKVXAGG-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)15(21)20-8-4-5-11(9-20)12-13-14(19(3)18-12)17-7-6-16-13/h6-7,10-11H,4-5,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 287.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92552953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).