bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

C80H94N24O9 — CID 160831190

IUPACbis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCN(C)CC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCN(C)CC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCNCC5)nc4C)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/2C27H32N8O3.C26H30N8O3/c2*1-16-21(14-35(32-16)18-6-8-33(2)9-7-18)22-13-29-26(28)25(30-22)23-15-34(3)27(36)24(31-23)17-10-19(37-4)12-20(11-17)38-5;1-15-20(13-34(32-15)17-5-7-28-8-6-17)21-12-29-25(27)24(30-21)22-14-33(2)26(35)23(31-22)16-9-18(36-3)11-19(10-16)37-4/h2*10-15,18H,6-9H2,1-5H3,(H2,28,29);9-14,17,28H,5-8H2,1-4H3,(H2,27,29)
InChIKeySGUZKYHGBSBWFS-UHFFFAOYSA-N
MW1535.79 g/mol
LogP8.48
Rot. Bonds18

About bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (PubChem CID 160831190) has the molecular formula C80H94N24O9 and a molecular weight of 1535.79 g/mol. Its IUPAC name is bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Namebis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
PubChem CID160831190
Molecular FormulaC80H94N24O9
Molecular Weight1535.79 g/mol
Exact Mass1534.76
IUPAC Namebis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCN(C)CC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCN(C)CC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCNCC5)nc4C)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/2C27H32N8O3.C26H30N8O3/c2*1-16-21(14-35(32-16)18-6-8-33(2)9-7-18)22-13-29-26(28)25(30-22)23-15-34(3)27(36)24(31-23)17-10-19(37-4)12-20(11-17)38-5;1-15-20(13-34(32-15)17-5-7-28-8-6-17)21-12-29-25(27)24(30-21)22-14-33(2)26(35)23(31-22)16-9-18(36-3)11-19(10-16)37-4/h2*10-15,18H,6-9H2,1-5H3,(H2,28,29);9-14,17,28H,5-8H2,1-4H3,(H2,27,29)
InChIKeySGUZKYHGBSBWFS-UHFFFAOYSA-N
XLogP8.48
TPSA387.42 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.79
LogP ≤ 58.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-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 bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The IUPAC name of bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (CID 160831190) is bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The canonical SMILES for bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCN(C)CC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCN(C)CC5)nc4C)cnc3N)cn(C)c2=O)c1.COc1cc(OC)cc(-c2nc(-c3nc(-c4cn(C5CCNCC5)nc4C)cnc3N)cn(C)c2=O)c1.
What is the InChIKey of bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The InChIKey is SGUZKYHGBSBWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32N8O3.C26H30N8O3/c2*1-16-21(14-35(32-16)18-6-8-33(2)9-7-18)22-13-29-26(28)25(30-22)23-15-34(3)27(36)24(31-23)17-10-19(37-4)12-20(11-17)38-5;1-15-20(13-34(32-15)17-5-7-28-8-6-17)21-12-29-25(27)24(30-21)22-14-33(2)26(35)23(31-22)16-9-18(36-3)11-19(10-16)37-4/h2*10-15,18H,6-9H2,1-5H3,(H2,28,29);9-14,17,28H,5-8H2,1-4H3,(H2,27,29).
What are the key properties of bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one has a molecular weight of 1535.79 g/mol, XLogP of 8.48, 18 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[3-amino-6-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);5-[3-amino-6-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 160831190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).