7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one

C42H28N8O2 — CID 123665914

IUPAC7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cccnc2n1Cc1cccc(-c2cnc3c(-c4cnc5c(c4)ncc(=O)n5Cc4cccc(-c5ccncc5)c4)cccc3c2)c1
InChIInChI=1S/C42H28N8O2/c51-38-23-45-36-11-4-14-44-41(36)49(38)25-28-6-2-8-31(18-28)33-19-32-9-3-10-35(40(32)47-21-33)34-20-37-42(48-22-34)50(39(52)24-46-37)26-27-5-1-7-30(17-27)29-12-15-43-16-13-29/h1-24H,25-26H2
InChIKeyRUKMGOGCJUJEDC-UHFFFAOYSA-N
MW676.74 g/mol
LogP6.94
Rot. Bonds7

About 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one

7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 123665914) has the molecular formula C42H28N8O2 and a molecular weight of 676.74 g/mol. Its IUPAC name is 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID123665914
Molecular FormulaC42H28N8O2
Molecular Weight676.74 g/mol
Exact Mass676.23
IUPAC Name7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cccnc2n1Cc1cccc(-c2cnc3c(-c4cnc5c(c4)ncc(=O)n5Cc4cccc(-c5ccncc5)c4)cccc3c2)c1
InChIInChI=1S/C42H28N8O2/c51-38-23-45-36-11-4-14-44-41(36)49(38)25-28-6-2-8-31(18-28)33-19-32-9-3-10-35(40(32)47-21-33)34-20-37-42(48-22-34)50(39(52)24-46-37)26-27-5-1-7-30(17-27)29-12-15-43-16-13-29/h1-24H,25-26H2
InChIKeyRUKMGOGCJUJEDC-UHFFFAOYSA-N
XLogP6.94
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.74
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (CID 123665914) is 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is O=c1cnc2cccnc2n1Cc1cccc(-c2cnc3c(-c4cnc5c(c4)ncc(=O)n5Cc4cccc(-c5ccncc5)c4)cccc3c2)c1.
What is the InChIKey of 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is RUKMGOGCJUJEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N8O2/c51-38-23-45-36-11-4-14-44-41(36)49(38)25-28-6-2-8-31(18-28)33-19-32-9-3-10-35(40(32)47-21-33)34-20-37-42(48-22-34)50(39(52)24-46-37)26-27-5-1-7-30(17-27)29-12-15-43-16-13-29/h1-24H,25-26H2.
What are the key properties of 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 676.74 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]quinolin-8-yl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 123665914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).