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

C25H30FN7O2 — CID 71113461

IUPAC1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1
InChIInChI=1S/C25H30FN7O2/c1-2-23(34)33-10-8-32(9-11-33)22-4-3-17(13-19(22)26)20-14-21-24(29-6-5-28-21)25(31-20)30-16-18-15-27-7-12-35-18/h3-6,13-14,18,27H,2,7-12,15-16H2,1H3,(H,30,31)/t18-/m0/s1
InChIKeyXFARHUSYMQLWOM-SFHVURJKSA-N
MW479.56 g/mol
LogP2.29
Rot. Bonds6

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

1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one (PubChem CID 71113461) has the molecular formula C25H30FN7O2 and a molecular weight of 479.56 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]propan-1-one.

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]propan-1-one
PubChem CID71113461
Molecular FormulaC25H30FN7O2
Molecular Weight479.56 g/mol
Exact Mass479.24
IUPAC Name1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1
InChIInChI=1S/C25H30FN7O2/c1-2-23(34)33-10-8-32(9-11-33)22-4-3-17(13-19(22)26)20-14-21-24(29-6-5-28-21)25(31-20)30-16-18-15-27-7-12-35-18/h3-6,13-14,18,27H,2,7-12,15-16H2,1H3,(H,30,31)/t18-/m0/s1
InChIKeyXFARHUSYMQLWOM-SFHVURJKSA-N
XLogP2.29
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.29
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]propan-1-one?
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]propan-1-one (CID 71113461) is 1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one.
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]propan-1-one?
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]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is XFARHUSYMQLWOM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30FN7O2/c1-2-23(34)33-10-8-32(9-11-33)22-4-3-17(13-19(22)26)20-14-21-24(29-6-5-28-21)25(31-20)30-16-18-15-27-7-12-35-18/h3-6,13-14,18,27H,2,7-12,15-16H2,1H3,(H,30,31)/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]propan-1-one?
1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 479.56 g/mol, XLogP of 2.29, 6 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]propan-1-one is sourced from PubChem (CID 71113461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).