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

C22H26N6O3S — CID 86717409

IUPACN-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESO=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12
InChIInChI=1S/C22H26N6O3S/c29-32(30)12-7-23-14-18(32)15-26-22-21-20(24-5-6-25-21)13-19(27-22)16-1-3-17(4-2-16)28-8-10-31-11-9-28/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)
InChIKeyDEJVKXMHQGZZST-UHFFFAOYSA-N
MW454.56 g/mol
LogP1.33
Rot. Bonds5

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

N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 86717409) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(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-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID86717409
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC NameN-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESO=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12
InChIInChI=1S/C22H26N6O3S/c29-32(30)12-7-23-14-18(32)15-26-22-21-20(24-5-6-25-21)13-19(27-22)16-1-3-17(4-2-16)28-8-10-31-11-9-28/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)
InChIKeyDEJVKXMHQGZZST-UHFFFAOYSA-N
XLogP1.33
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(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-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (CID 86717409) is N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(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-(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-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is O=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12.
What is the InChIKey of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is DEJVKXMHQGZZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c29-32(30)12-7-23-14-18(32)15-26-22-21-20(24-5-6-25-21)13-19(27-22)16-1-3-17(4-2-16)28-8-10-31-11-9-28/h1-6,13,18,23H,7-12,14-15H2,(H,26,27).
What are the key properties of N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 454.56 g/mol, XLogP of 1.33, 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-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 86717409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).