1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one

C19H28N6O — CID 92577940

IUPAC1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
SMILESNCCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21
InChIInChI=1S/C19H28N6O/c20-8-12-25-19-18(21-9-10-22-19)17(23-25)15-7-11-24(13-15)16(26)6-5-14-3-1-2-4-14/h9-10,14-15H,1-8,11-13,20H2/t15-/m1/s1
InChIKeyNZNZHTDYECDOQJ-OAHLLOKOSA-N
MW356.47 g/mol
LogP2.07
Rot. Bonds6

About 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one

1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 92577940) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID92577940
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
SMILESNCCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21
InChIInChI=1S/C19H28N6O/c20-8-12-25-19-18(21-9-10-22-19)17(23-25)15-7-11-24(13-15)16(26)6-5-14-3-1-2-4-14/h9-10,14-15H,1-8,11-13,20H2/t15-/m1/s1
InChIKeyNZNZHTDYECDOQJ-OAHLLOKOSA-N
XLogP2.07
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110242447
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
1-[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110242409
1-[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-cyclopent-2-en-1-ylethanone
CID 110242456
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 92557578
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 92601594
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 92596278
3-cyclopentyl-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]propan-1-one
CID 92606451
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 95851358
[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 92593134
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95851356
1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 92552138

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one (CID 92577940) is 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one is NCCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21.
What is the InChIKey of 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is NZNZHTDYECDOQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O/c20-8-12-25-19-18(21-9-10-22-19)17(23-25)15-7-11-24(13-15)16(26)6-5-14-3-1-2-4-14/h9-10,14-15H,1-8,11-13,20H2/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one?
1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 92577940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).