5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

C54H64N16O8 — CID 159323280

IUPAC5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cc(OC)cc(-c2nc(-c3nc(-c4cn(CCN5CCOCC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cnn(CCN5CCOCC5)c4C)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/2C27H32N8O4/c1-17-21(15-35(32-17)6-5-34-7-9-39-10-8-34)22-14-29-26(28)25(30-22)23-16-33(2)27(36)24(31-23)18-11-19(37-3)13-20(12-18)38-4;1-17-21(14-30-35(17)6-5-34-7-9-39-10-8-34)22-15-29-26(28)25(31-22)23-16-33(2)27(36)24(32-23)18-11-19(37-3)13-20(12-18)38-4/h2*11-16H,5-10H2,1-4H3,(H2,28,29)
InChIKeyLEAOGGXTXAGWSS-UHFFFAOYSA-N
MW1065.21 g/mol
LogP4.02
Rot. Bonds16

About 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (PubChem CID 159323280) has the molecular formula C54H64N16O8 and a molecular weight of 1065.21 g/mol. Its IUPAC name is 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
PubChem CID159323280
Molecular FormulaC54H64N16O8
Molecular Weight1065.21 g/mol
Exact Mass1064.51
IUPAC Name5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cc(OC)cc(-c2nc(-c3nc(-c4cn(CCN5CCOCC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cnn(CCN5CCOCC5)c4C)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/2C27H32N8O4/c1-17-21(15-35(32-17)6-5-34-7-9-39-10-8-34)22-14-29-26(28)25(30-22)23-16-33(2)27(36)24(31-23)18-11-19(37-3)13-20(12-18)38-4;1-17-21(14-30-35(17)6-5-34-7-9-39-10-8-34)22-15-29-26(28)25(31-22)23-16-33(2)27(36)24(32-23)18-11-19(37-3)13-20(12-18)38-4/h2*11-16H,5-10H2,1-4H3,(H2,28,29)
InChIKeyLEAOGGXTXAGWSS-UHFFFAOYSA-N
XLogP4.02
TPSA270.88 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The IUPAC name of 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (CID 159323280) is 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The canonical SMILES for 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(CCN5CCOCC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cnn(CCN5CCOCC5)c4C)cnc3N)cn(C)c2=O)c1.
What is the InChIKey of 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The InChIKey is LEAOGGXTXAGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32N8O4/c1-17-21(15-35(32-17)6-5-34-7-9-39-10-8-34)22-14-29-26(28)25(30-22)23-16-33(2)27(36)24(31-23)18-11-19(37-3)13-20(12-18)38-4;1-17-21(14-30-35(17)6-5-34-7-9-39-10-8-34)22-15-29-26(28)25(31-22)23-16-33(2)27(36)24(32-23)18-11-19(37-3)13-20(12-18)38-4/h2*11-16H,5-10H2,1-4H3,(H2,28,29).
What are the key properties of 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one has a molecular weight of 1065.21 g/mol, XLogP of 4.02, 16 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 159323280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).