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

C22H26N6O3S — CID 71113707

IUPAC7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESO=S1(=O)CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C22H26N6O3S/c29-32(30)11-8-28(9-12-32)17-3-1-16(2-4-17)19-13-20-21(25-6-5-24-20)22(27-19)26-15-18-14-23-7-10-31-18/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)/t18-/m0/s1
InChIKeyIAYPLGWFERQVRI-SFHVURJKSA-N
MW454.56 g/mol
LogP1.33
Rot. Bonds5

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

7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113707) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113707
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESO=S1(=O)CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C22H26N6O3S/c29-32(30)11-8-28(9-12-32)17-3-1-16(2-4-17)19-13-20-21(25-6-5-24-20)22(27-19)26-15-18-14-23-7-10-31-18/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)/t18-/m0/s1
InChIKeyIAYPLGWFERQVRI-SFHVURJKSA-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 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]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 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113707) is 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is O=S1(=O)CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is IAYPLGWFERQVRI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N6O3S/c29-32(30)11-8-28(9-12-32)17-3-1-16(2-4-17)19-13-20-21(25-6-5-24-20)22(27-19)26-15-18-14-23-7-10-31-18/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)/t18-/m0/s1.
What are the key properties of 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]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 7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).