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

C25H29FN6O2 — CID 177372684

IUPAC1-[4-[2-fluoro-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)cc2F)CC1
InChIInChI=1S/C25H29FN6O2/c1-16(33)32-9-4-17(5-10-32)20-3-2-18(12-21(20)26)22-13-23-24(29-7-6-28-23)25(31-22)30-15-19-14-27-8-11-34-19/h2-3,6-7,12-13,17,19,27H,4-5,8-11,14-15H2,1H3,(H,30,31)/t19-/m0/s1
InChIKeyCPQXTCRENIMNFB-IBGZPJMESA-N
MW464.55 g/mol
LogP2.96
Rot. Bonds5

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

1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone (PubChem CID 177372684) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 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]piperidin-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]piperidin-1-yl]ethanone
PubChem CID177372684
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name1-[4-[2-fluoro-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)cc2F)CC1
InChIInChI=1S/C25H29FN6O2/c1-16(33)32-9-4-17(5-10-32)20-3-2-18(12-21(20)26)22-13-23-24(29-7-6-28-23)25(31-22)30-15-19-14-27-8-11-34-19/h2-3,6-7,12-13,17,19,27H,4-5,8-11,14-15H2,1H3,(H,30,31)/t19-/m0/s1
InChIKeyCPQXTCRENIMNFB-IBGZPJMESA-N
XLogP2.96
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]piperidin-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]piperidin-1-yl]ethanone (CID 177372684) is 1-[4-[2-fluoro-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-[2-fluoro-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-[2-fluoro-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)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]piperidin-1-yl]ethanone?
The InChIKey is CPQXTCRENIMNFB-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-16(33)32-9-4-17(5-10-32)20-3-2-18(12-21(20)26)22-13-23-24(29-7-6-28-23)25(31-22)30-15-19-14-27-8-11-34-19/h2-3,6-7,12-13,17,19,27H,4-5,8-11,14-15H2,1H3,(H,30,31)/t19-/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]piperidin-1-yl]ethanone?
1-[4-[2-fluoro-4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone has a molecular weight of 464.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]piperidin-1-yl]ethanone is sourced from PubChem (CID 177372684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).