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

C19H22N6O — CID 58177410

IUPAC1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1
InChIInChI=1S/C19H22N6O/c1-13(26)25-9-4-5-14(12-25)22-18-15(6-3-8-20-18)17-11-21-16-7-10-24(2)19(16)23-17/h3,6-8,10-11,14H,4-5,9,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyCCFCPZYFJYZMLZ-AWEZNQCLSA-N
MW350.43 g/mol
LogP2.45
Rot. Bonds3

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

1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 58177410) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID58177410
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1
InChIInChI=1S/C19H22N6O/c1-13(26)25-9-4-5-14(12-25)22-18-15(6-3-8-20-18)17-11-21-16-7-10-24(2)19(16)23-17/h3,6-8,10-11,14H,4-5,9,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyCCFCPZYFJYZMLZ-AWEZNQCLSA-N
XLogP2.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 58177410) is 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1.
What is the InChIKey of 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is CCFCPZYFJYZMLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(26)25-9-4-5-14(12-25)22-18-15(6-3-8-20-18)17-11-21-16-7-10-24(2)19(16)23-17/h3,6-8,10-11,14H,4-5,9,12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 350.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 58177410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).