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

C23H29N7O3S — CID 71113824

IUPAC7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C23H29N7O3S/c1-34(31,32)30-11-9-29(10-12-30)18-4-2-17(3-5-18)20-14-21-22(26-7-6-25-21)23(28-20)27-16-19-15-24-8-13-33-19/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyXFSGWODALIPICT-IBGZPJMESA-N
MW483.60 g/mol
LogP1.17
Rot. Bonds6

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

7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113824) has the molecular formula C23H29N7O3S and a molecular weight of 483.60 g/mol. Its IUPAC name is 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113824
Molecular FormulaC23H29N7O3S
Molecular Weight483.60 g/mol
Exact Mass483.21
IUPAC Name7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C23H29N7O3S/c1-34(31,32)30-11-9-29(10-12-30)18-4-2-17(3-5-18)20-14-21-22(26-7-6-25-21)23(28-20)27-16-19-15-24-8-13-33-19/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyXFSGWODALIPICT-IBGZPJMESA-N
XLogP1.17
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113824) is 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is XFSGWODALIPICT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N7O3S/c1-34(31,32)30-11-9-29(10-12-30)18-4-2-17(3-5-18)20-14-21-22(26-7-6-25-21)23(28-20)27-16-19-15-24-8-13-33-19/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 483.60 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).