1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone

C17H19N7O — CID 58177297

IUPAC1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ncc3n2)C1
InChIInChI=1S/C17H19N7O/c1-11(25)24-7-3-4-12(10-24)21-16-13(5-2-6-18-16)14-8-19-17-15(22-14)9-20-23-17/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,18,21)(H,19,20,23)/t12-/m0/s1
InChIKeyCWQPCDVZHLCSJV-LBPRGKRZSA-N
MW337.39 g/mol
LogP1.84
Rot. Bonds3

About 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone

1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 58177297) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID58177297
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ncc3n2)C1
InChIInChI=1S/C17H19N7O/c1-11(25)24-7-3-4-12(10-24)21-16-13(5-2-6-18-16)14-8-19-17-15(22-14)9-20-23-17/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,18,21)(H,19,20,23)/t12-/m0/s1
InChIKeyCWQPCDVZHLCSJV-LBPRGKRZSA-N
XLogP1.84
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 58177297) is 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ncc3n2)C1.
What is the InChIKey of 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is CWQPCDVZHLCSJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N7O/c1-11(25)24-7-3-4-12(10-24)21-16-13(5-2-6-18-16)14-8-19-17-15(22-14)9-20-23-17/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,18,21)(H,19,20,23)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 337.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 58177297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).