1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C55H54N14O3 — CID 137247660

IUPAC1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cn(-n4nc(-c5cn(CCn6nc(-c7c[nH]c8cc(-c9cnn(C)c9)ccc78)c7c6CCN(C(C)=O)C7)c6ccccc56)c5c4CCN(C(C)=O)C5)c4ccccc34)nn2C)C1
InChIInChI=1S/C55H54N14O3/c1-33(70)63-19-16-48-44(29-63)54(58-62(48)5)43-32-68(51-13-9-7-11-40(43)51)69-52-18-21-65(35(3)72)31-46(52)55(60-69)42-28-66(49-12-8-6-10-39(42)49)22-23-67-50-17-20-64(34(2)71)30-45(50)53(59-67)41-26-56-47-24-36(14-15-38(41)47)37-25-57-61(4)27-37/h6-15,24-28,32,56H,16-23,29-31H2,1-5H3
InChIKeyIUQGMTODBDPURW-UHFFFAOYSA-N
MW959.13 g/mol
LogP7.33
Rot. Bonds8

About 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 137247660) has the molecular formula C55H54N14O3 and a molecular weight of 959.13 g/mol. Its IUPAC name is 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID137247660
Molecular FormulaC55H54N14O3
Molecular Weight959.13 g/mol
Exact Mass958.45
IUPAC Name1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cn(-n4nc(-c5cn(CCn6nc(-c7c[nH]c8cc(-c9cnn(C)c9)ccc78)c7c6CCN(C(C)=O)C7)c6ccccc56)c5c4CCN(C(C)=O)C5)c4ccccc34)nn2C)C1
InChIInChI=1S/C55H54N14O3/c1-33(70)63-19-16-48-44(29-63)54(58-62(48)5)43-32-68(51-13-9-7-11-40(43)51)69-52-18-21-65(35(3)72)31-46(52)55(60-69)42-28-66(49-12-8-6-10-39(42)49)22-23-67-50-17-20-64(34(2)71)30-45(50)53(59-67)41-26-56-47-24-36(14-15-38(41)47)37-25-57-61(4)27-37/h6-15,24-28,32,56H,16-23,29-31H2,1-5H3
InChIKeyIUQGMTODBDPURW-UHFFFAOYSA-N
XLogP7.33
TPSA157.86 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.13
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 137247660) is 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cn(-n4nc(-c5cn(CCn6nc(-c7c[nH]c8cc(-c9cnn(C)c9)ccc78)c7c6CCN(C(C)=O)C7)c6ccccc56)c5c4CCN(C(C)=O)C5)c4ccccc34)nn2C)C1.
What is the InChIKey of 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is IUQGMTODBDPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54N14O3/c1-33(70)63-19-16-48-44(29-63)54(58-62(48)5)43-32-68(51-13-9-7-11-40(43)51)69-52-18-21-65(35(3)72)31-46(52)55(60-69)42-28-66(49-12-8-6-10-39(42)49)22-23-67-50-17-20-64(34(2)71)30-45(50)53(59-67)41-26-56-47-24-36(14-15-38(41)47)37-25-57-61(4)27-37/h6-15,24-28,32,56H,16-23,29-31H2,1-5H3.
What are the key properties of 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 959.13 g/mol, XLogP of 7.33, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[5-acetyl-3-[1-[2-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl]indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]indol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 137247660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).