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

C24H28FN7O2 — CID 71113446

IUPAC1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1
InChIInChI=1S/C24H28FN7O2/c1-16(33)31-7-9-32(10-8-31)22-3-2-17(12-19(22)25)20-13-21-23(28-5-4-27-21)24(30-20)29-15-18-14-26-6-11-34-18/h2-5,12-13,18,26H,6-11,14-15H2,1H3,(H,29,30)/t18-/m0/s1
InChIKeyBJALGJWVBDCWDU-SFHVURJKSA-N
MW465.53 g/mol
LogP1.90
Rot. Bonds5

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

1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 71113446) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID71113446
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1
InChIInChI=1S/C24H28FN7O2/c1-16(33)31-7-9-32(10-8-31)22-3-2-17(12-19(22)25)20-13-21-23(28-5-4-27-21)24(30-20)29-15-18-14-26-6-11-34-18/h2-5,12-13,18,26H,6-11,14-15H2,1H3,(H,29,30)/t18-/m0/s1
InChIKeyBJALGJWVBDCWDU-SFHVURJKSA-N
XLogP1.90
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone (CID 71113446) is 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1.
What is the InChIKey of 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is BJALGJWVBDCWDU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-16(33)31-7-9-32(10-8-31)22-3-2-17(12-19(22)25)20-13-21-23(28-5-4-27-21)24(30-20)29-15-18-14-26-6-11-34-18/h2-5,12-13,18,26H,6-11,14-15H2,1H3,(H,29,30)/t18-/m0/s1.
What are the key properties of 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 465.53 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71113446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).