1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

C48H60N10O3 — CID 143853815

IUPAC1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C.CC1(C)CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CCN1
InChIInChI=1S/C25H31N5O2.C23H29N5O/c1-16(31)30-11-10-29(15-25(30,5)6)18-9-7-8-17(12-18)20-14-27-23-21(28-20)19(13-26-23)22(32)24(2,3)4;1-22(2,3)20(29)17-12-24-21-19(17)27-18(13-25-21)15-7-6-8-16(11-15)28-10-9-26-23(4,5)14-28/h7-9,12-14H,10-11,15H2,1-6H3,(H,26,27);6-8,11-13,26H,9-10,14H2,1-5H3,(H,24,25)
InChIKeyHPGLVSROTILGNR-UHFFFAOYSA-N
MW825.07 g/mol
LogP8.34
Rot. Bonds6

About 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 143853815) has the molecular formula C48H60N10O3 and a molecular weight of 825.07 g/mol. Its IUPAC name is 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
PubChem CID143853815
Molecular FormulaC48H60N10O3
Molecular Weight825.07 g/mol
Exact Mass824.48
IUPAC Name1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C.CC1(C)CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CCN1
InChIInChI=1S/C25H31N5O2.C23H29N5O/c1-16(31)30-11-10-29(15-25(30,5)6)18-9-7-8-17(12-18)20-14-27-23-21(28-20)19(13-26-23)22(32)24(2,3)4;1-22(2,3)20(29)17-12-24-21-19(17)27-18(13-25-21)15-7-6-8-16(11-15)28-10-9-26-23(4,5)14-28/h7-9,12-14H,10-11,15H2,1-6H3,(H,26,27);6-8,11-13,26H,9-10,14H2,1-5H3,(H,24,25)
InChIKeyHPGLVSROTILGNR-UHFFFAOYSA-N
XLogP8.34
TPSA156.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 58.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (CID 143853815) is 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is CC(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C.CC1(C)CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CCN1.
What is the InChIKey of 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HPGLVSROTILGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2.C23H29N5O/c1-16(31)30-11-10-29(15-25(30,5)6)18-9-7-8-17(12-18)20-14-27-23-21(28-20)19(13-26-23)22(32)24(2,3)4;1-22(2,3)20(29)17-12-24-21-19(17)27-18(13-25-21)15-7-6-8-16(11-15)28-10-9-26-23(4,5)14-28/h7-9,12-14H,10-11,15H2,1-6H3,(H,26,27);6-8,11-13,26H,9-10,14H2,1-5H3,(H,24,25).
What are the key properties of 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 825.07 g/mol, XLogP of 8.34, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 143853815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).