7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C23H27FN6O2 — CID 71113777

IUPAC7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESFc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCCOCC1
InChIInChI=1S/C23H27FN6O2/c24-18-12-16(2-3-21(18)30-7-1-9-31-11-8-30)19-13-20-22(27-5-4-26-20)23(29-19)28-15-17-14-25-6-10-32-17/h2-5,12-13,17,25H,1,6-11,14-15H2,(H,28,29)/t17-/m0/s1
InChIKeyYBSKHFRZDKDHGC-KRWDZBQOSA-N
MW438.51 g/mol
LogP2.46
Rot. Bonds5

About 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113777) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113777
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESFc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCCOCC1
InChIInChI=1S/C23H27FN6O2/c24-18-12-16(2-3-21(18)30-7-1-9-31-11-8-30)19-13-20-22(27-5-4-26-20)23(29-19)28-15-17-14-25-6-10-32-17/h2-5,12-13,17,25H,1,6-11,14-15H2,(H,28,29)/t17-/m0/s1
InChIKeyYBSKHFRZDKDHGC-KRWDZBQOSA-N
XLogP2.46
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113777) is 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is Fc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCCOCC1.
What is the InChIKey of 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is YBSKHFRZDKDHGC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27FN6O2/c24-18-12-16(2-3-21(18)30-7-1-9-31-11-8-30)19-13-20-22(27-5-4-26-20)23(29-19)28-15-17-14-25-6-10-32-17/h2-5,12-13,17,25H,1,6-11,14-15H2,(H,28,29)/t17-/m0/s1.
What are the key properties of 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 438.51 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).