5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one

C32H33N7O2 — CID 67016973

IUPAC5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one
SMILESCn1cc(N2C=Cn3c(cc4c3=CCCC4)=C2)c(-c2ccccc2)c(Nc2cc3n(n2)CCN(C2COC2)C3)c1=O
InChIInChI=1S/C32H33N7O2/c1-35-19-28(37-11-13-38-24(17-37)15-23-9-5-6-10-27(23)38)30(22-7-3-2-4-8-22)31(32(35)40)33-29-16-25-18-36(26-20-41-21-26)12-14-39(25)34-29/h2-4,7-8,10-11,13,15-17,19,26H,5-6,9,12,14,18,20-21H2,1H3,(H,33,34)
InChIKeyVMJRLKOPGDDTOI-UHFFFAOYSA-N
MW547.66 g/mol
LogP2.81
Rot. Bonds5

About 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one

5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one (PubChem CID 67016973) has the molecular formula C32H33N7O2 and a molecular weight of 547.66 g/mol. Its IUPAC name is 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one
PubChem CID67016973
Molecular FormulaC32H33N7O2
Molecular Weight547.66 g/mol
Exact Mass547.27
IUPAC Name5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one
SMILESCn1cc(N2C=Cn3c(cc4c3=CCCC4)=C2)c(-c2ccccc2)c(Nc2cc3n(n2)CCN(C2COC2)C3)c1=O
InChIInChI=1S/C32H33N7O2/c1-35-19-28(37-11-13-38-24(17-37)15-23-9-5-6-10-27(23)38)30(22-7-3-2-4-8-22)31(32(35)40)33-29-16-25-18-36(26-20-41-21-26)12-14-39(25)34-29/h2-4,7-8,10-11,13,15-17,19,26H,5-6,9,12,14,18,20-21H2,1H3,(H,33,34)
InChIKeyVMJRLKOPGDDTOI-UHFFFAOYSA-N
XLogP2.81
TPSA72.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one?
The IUPAC name of 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one (CID 67016973) is 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one.
What is the SMILES notation for 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one?
The canonical SMILES for 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one is Cn1cc(N2C=Cn3c(cc4c3=CCCC4)=C2)c(-c2ccccc2)c(Nc2cc3n(n2)CCN(C2COC2)C3)c1=O.
What is the InChIKey of 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one?
The InChIKey is VMJRLKOPGDDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2/c1-35-19-28(37-11-13-38-24(17-37)15-23-9-5-6-10-27(23)38)30(22-7-3-2-4-8-22)31(32(35)40)33-29-16-25-18-36(26-20-41-21-26)12-14-39(25)34-29/h2-4,7-8,10-11,13,15-17,19,26H,5-6,9,12,14,18,20-21H2,1H3,(H,33,34).
What are the key properties of 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one?
5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one has a molecular weight of 547.66 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,9-dihydro-7H-pyrazino[1,2-a]indol-2-yl)-1-methyl-3-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-4-phenylpyridin-2-one is sourced from PubChem (CID 67016973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).