1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone

C25H30N6O2 — CID 71113562

IUPAC1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C25H30N6O2/c1-17(32)31-11-6-19(7-12-31)18-2-4-20(5-3-18)22-14-23-24(28-9-8-27-23)25(30-22)29-16-21-15-26-10-13-33-21/h2-5,8-9,14,19,21,26H,6-7,10-13,15-16H2,1H3,(H,29,30)/t21-/m0/s1
InChIKeyLJYDUANFEFLQFP-NRFANRHFSA-N
MW446.56 g/mol
LogP2.82
Rot. Bonds5

About 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone

1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone (PubChem CID 71113562) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
PubChem CID71113562
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C25H30N6O2/c1-17(32)31-11-6-19(7-12-31)18-2-4-20(5-3-18)22-14-23-24(28-9-8-27-23)25(30-22)29-16-21-15-26-10-13-33-21/h2-5,8-9,14,19,21,26H,6-7,10-13,15-16H2,1H3,(H,29,30)/t21-/m0/s1
InChIKeyLJYDUANFEFLQFP-NRFANRHFSA-N
XLogP2.82
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone (CID 71113562) is 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone?
The InChIKey is LJYDUANFEFLQFP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17(32)31-11-6-19(7-12-31)18-2-4-20(5-3-18)22-14-23-24(28-9-8-27-23)25(30-22)29-16-21-15-26-10-13-33-21/h2-5,8-9,14,19,21,26H,6-7,10-13,15-16H2,1H3,(H,29,30)/t21-/m0/s1.
What are the key properties of 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone?
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone has a molecular weight of 446.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71113562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).