7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C23H30N8O3S — CID 71113400

IUPAC7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCCS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cn2)CC1
InChIInChI=1S/C23H30N8O3S/c1-2-35(32,33)31-10-8-30(9-11-31)21-4-3-17(14-27-21)19-13-20-22(26-6-5-25-20)23(29-19)28-16-18-15-24-7-12-34-18/h3-6,13-14,18,24H,2,7-12,15-16H2,1H3,(H,28,29)/t18-/m0/s1
InChIKeyQWUYGWKTZVDAOJ-SFHVURJKSA-N
MW498.61 g/mol
LogP0.96
Rot. Bonds7

About 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113400) has the molecular formula C23H30N8O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113400
Molecular FormulaC23H30N8O3S
Molecular Weight498.61 g/mol
Exact Mass498.22
IUPAC Name7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCCS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cn2)CC1
InChIInChI=1S/C23H30N8O3S/c1-2-35(32,33)31-10-8-30(9-11-31)21-4-3-17(14-27-21)19-13-20-22(26-6-5-25-20)23(29-19)28-16-18-15-24-7-12-34-18/h3-6,13-14,18,24H,2,7-12,15-16H2,1H3,(H,28,29)/t18-/m0/s1
InChIKeyQWUYGWKTZVDAOJ-SFHVURJKSA-N
XLogP0.96
TPSA125.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113400) is 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CCS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cn2)CC1.
What is the InChIKey of 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is QWUYGWKTZVDAOJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N8O3S/c1-2-35(32,33)31-10-8-30(9-11-31)21-4-3-17(14-27-21)19-13-20-22(26-6-5-25-20)23(29-19)28-16-18-15-24-7-12-34-18/h3-6,13-14,18,24H,2,7-12,15-16H2,1H3,(H,28,29)/t18-/m0/s1.
What are the key properties of 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 498.61 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).