3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione

C48H44N8O7 — CID 160855567

IUPAC3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(C2C(=O)Nc3ccccc32)C(=O)NC1Cc1ccc(OCc2ccccc2)cn1.O=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1cccnc1
InChIInChI=1S/C25H22N4O4.C23H22N4O3/c30-23-20(12-16-10-11-17(13-26-16)33-14-15-6-2-1-3-7-15)28-25(32)22(29-23)21-18-8-4-5-9-19(18)27-24(21)31;28-22-20(11-17-7-4-10-24-13-17)26-23(29)21(27-22)12-18-8-9-19(14-25-18)30-15-16-5-2-1-3-6-16/h1-11,13,20-22H,12,14H2,(H,27,31)(H,28,32)(H,29,30);1-10,13-14,20-21H,11-12,15H2,(H,26,29)(H,27,28)
InChIKeySJUMYVKBDHEUMX-UHFFFAOYSA-N
MW844.93 g/mol
LogP3.75
Rot. Bonds13

About 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione

3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 160855567) has the molecular formula C48H44N8O7 and a molecular weight of 844.93 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione
PubChem CID160855567
Molecular FormulaC48H44N8O7
Molecular Weight844.93 g/mol
Exact Mass844.33
IUPAC Name3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(C2C(=O)Nc3ccccc32)C(=O)NC1Cc1ccc(OCc2ccccc2)cn1.O=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1cccnc1
InChIInChI=1S/C25H22N4O4.C23H22N4O3/c30-23-20(12-16-10-11-17(13-26-16)33-14-15-6-2-1-3-7-15)28-25(32)22(29-23)21-18-8-4-5-9-19(18)27-24(21)31;28-22-20(11-17-7-4-10-24-13-17)26-23(29)21(27-22)12-18-8-9-19(14-25-18)30-15-16-5-2-1-3-6-16/h1-11,13,20-22H,12,14H2,(H,27,31)(H,28,32)(H,29,30);1-10,13-14,20-21H,11-12,15H2,(H,26,29)(H,27,28)
InChIKeySJUMYVKBDHEUMX-UHFFFAOYSA-N
XLogP3.75
TPSA202.63 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500844.93
LogP ≤ 53.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione (CID 160855567) is 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione is O=C1NC(C2C(=O)Nc3ccccc32)C(=O)NC1Cc1ccc(OCc2ccccc2)cn1.O=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1cccnc1.
What is the InChIKey of 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is SJUMYVKBDHEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4.C23H22N4O3/c30-23-20(12-16-10-11-17(13-26-16)33-14-15-6-2-1-3-7-15)28-25(32)22(29-23)21-18-8-4-5-9-19(18)27-24(21)31;28-22-20(11-17-7-4-10-24-13-17)26-23(29)21(27-22)12-18-8-9-19(14-25-18)30-15-16-5-2-1-3-6-16/h1-11,13,20-22H,12,14H2,(H,27,31)(H,28,32)(H,29,30);1-10,13-14,20-21H,11-12,15H2,(H,26,29)(H,27,28).
What are the key properties of 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione?
3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 844.93 g/mol, XLogP of 3.75, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroindol-3-yl)-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione;3-[(5-phenylmethoxy-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 160855567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).