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

C22H25FN6O2 — CID 71113341

IUPAC7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESFc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1
InChIInChI=1S/C22H25FN6O2/c23-17-11-15(1-2-20(17)29-6-9-30-10-7-29)18-12-19-21(26-4-3-25-19)22(28-18)27-14-16-13-24-5-8-31-16/h1-4,11-12,16,24H,5-10,13-14H2,(H,27,28)/t16-/m0/s1
InChIKeyHOJOCUCRLQRWDR-INIZCTEOSA-N
MW424.48 g/mol
LogP2.07
Rot. Bonds5

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

7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113341) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113341
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESFc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1
InChIInChI=1S/C22H25FN6O2/c23-17-11-15(1-2-20(17)29-6-9-30-10-7-29)18-12-19-21(26-4-3-25-19)22(28-18)27-14-16-13-24-5-8-31-16/h1-4,11-12,16,24H,5-10,13-14H2,(H,27,28)/t16-/m0/s1
InChIKeyHOJOCUCRLQRWDR-INIZCTEOSA-N
XLogP2.07
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.07
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-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113341) is 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is Fc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1.
What is the InChIKey of 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is HOJOCUCRLQRWDR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25FN6O2/c23-17-11-15(1-2-20(17)29-6-9-30-10-7-29)18-12-19-21(26-4-3-25-19)22(28-18)27-14-16-13-24-5-8-31-16/h1-4,11-12,16,24H,5-10,13-14H2,(H,27,28)/t16-/m0/s1.
What are the key properties of 7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 424.48 g/mol, XLogP of 2.07, 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-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).