N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine

C22H25FN6O3S — CID 71114139

IUPACN-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESO=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)c(F)c2)cc2nccnc12
InChIInChI=1S/C22H25FN6O3S/c23-17-11-15(1-2-20(17)29-6-8-32-9-7-29)18-12-19-21(26-4-3-25-19)22(28-18)27-14-16-13-24-5-10-33(16,30)31/h1-4,11-12,16,24H,5-10,13-14H2,(H,27,28)
InChIKeyQOQFAAOQRVGQRP-UHFFFAOYSA-N
MW472.55 g/mol
LogP1.47
Rot. Bonds5

About N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine

N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71114139) has the molecular formula C22H25FN6O3S and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID71114139
Molecular FormulaC22H25FN6O3S
Molecular Weight472.55 g/mol
Exact Mass472.17
IUPAC NameN-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESO=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)c(F)c2)cc2nccnc12
InChIInChI=1S/C22H25FN6O3S/c23-17-11-15(1-2-20(17)29-6-8-32-9-7-29)18-12-19-21(26-4-3-25-19)22(28-18)27-14-16-13-24-5-10-33(16,30)31/h1-4,11-12,16,24H,5-10,13-14H2,(H,27,28)
InChIKeyQOQFAAOQRVGQRP-UHFFFAOYSA-N
XLogP1.47
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine with MolForge

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Related Compounds

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CID 137658179
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CID 9820420
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CID 11496376
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CID 44608757
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CID 46865530
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CID 53321409
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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (CID 71114139) is N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is O=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)c(F)c2)cc2nccnc12.
What is the InChIKey of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is QOQFAAOQRVGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3S/c23-17-11-15(1-2-20(17)29-6-8-32-9-7-29)18-12-19-21(26-4-3-25-19)22(28-18)27-14-16-13-24-5-10-33(16,30)31/h1-4,11-12,16,24H,5-10,13-14H2,(H,27,28).
What are the key properties of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 472.55 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71114139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).