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

C27H32N8O4 — CID 139409391

IUPAC5-[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(-c4cnn(CCN5CCOCC5)c4C)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/C27H32N8O4/c1-17-21(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/h11-16H,5-10H2,1-4H3,(H2,28,29)
InChIKeyABCWHVQFCUWFCJ-UHFFFAOYSA-N
MW532.61 g/mol
LogP2.01
Rot. Bonds8

About 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-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (PubChem CID 139409391) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is 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-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
PubChem CID139409391
Molecular FormulaC27H32N8O4
Molecular Weight532.61 g/mol
Exact Mass532.25
IUPAC Name5-[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(-c4cnn(CCN5CCOCC5)c4C)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/C27H32N8O4/c1-17-21(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/h11-16H,5-10H2,1-4H3,(H2,28,29)
InChIKeyABCWHVQFCUWFCJ-UHFFFAOYSA-N
XLogP2.01
TPSA135.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.61
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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-[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-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (CID 139409391) is 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-[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-[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(-c4cnn(CCN5CCOCC5)c4C)cnc3N)cn(C)c2=O)c1.
What is the InChIKey of 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 ABCWHVQFCUWFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O4/c1-17-21(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/h11-16H,5-10H2,1-4H3,(H2,28,29).
What are the key properties of 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-[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 532.61 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 139409391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).