4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one

C43H28N8O3 — CID 123429404

IUPAC4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cccnc2n1Cc1cccc(-c2cnc3[nH]c(-c4ccnc5c4ncc(=O)n5Cc4cccc(-c5ccc6occc6c5)c4)cc3c2)c1
InChIInChI=1S/C43H28N8O3/c52-38-22-46-35-8-3-13-44-42(35)50(38)24-27-5-2-7-29(17-27)33-19-32-20-36(49-41(32)48-21-33)34-11-14-45-43-40(34)47-23-39(53)51(43)25-26-4-1-6-28(16-26)30-9-10-37-31(18-30)12-15-54-37/h1-23H,24-25H2,(H,48,49)
InChIKeyKIMGDVOABHFDKV-UHFFFAOYSA-N
MW704.75 g/mol
LogP7.62
Rot. Bonds7

About 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one

4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 123429404) has the molecular formula C43H28N8O3 and a molecular weight of 704.75 g/mol. Its IUPAC name is 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID123429404
Molecular FormulaC43H28N8O3
Molecular Weight704.75 g/mol
Exact Mass704.23
IUPAC Name4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cccnc2n1Cc1cccc(-c2cnc3[nH]c(-c4ccnc5c4ncc(=O)n5Cc4cccc(-c5ccc6occc6c5)c4)cc3c2)c1
InChIInChI=1S/C43H28N8O3/c52-38-22-46-35-8-3-13-44-42(35)50(38)24-27-5-2-7-29(17-27)33-19-32-20-36(49-41(32)48-21-33)34-11-14-45-43-40(34)47-23-39(53)51(43)25-26-4-1-6-28(16-26)30-9-10-37-31(18-30)12-15-54-37/h1-23H,24-25H2,(H,48,49)
InChIKeyKIMGDVOABHFDKV-UHFFFAOYSA-N
XLogP7.62
TPSA137.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.75
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[5-(3-Benzyl-3H-imidazol-4-yl)-pyridin-2-yl]-3-(2,3-dihydro-benzofuran-5-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11410087
3-Benzofuran-5-yl-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11431026
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881514
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881516
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881563
7-(4-methoxyphenyl)-2-[4-(piperidin-1-ylcarbonyl)phenyl]-3H-imidazo[4,5-b]pyridine
CID 16122967
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclohexyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 46845957
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881515
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 127036377
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(4-methoxyphenyl)pyridine-2-carboxamide
CID 127036431
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one (CID 123429404) is 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one is O=c1cnc2cccnc2n1Cc1cccc(-c2cnc3[nH]c(-c4ccnc5c4ncc(=O)n5Cc4cccc(-c5ccc6occc6c5)c4)cc3c2)c1.
What is the InChIKey of 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is KIMGDVOABHFDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N8O3/c52-38-22-46-35-8-3-13-44-42(35)50(38)24-27-5-2-7-29(17-27)33-19-32-20-36(49-41(32)48-21-33)34-11-14-45-43-40(34)47-23-39(53)51(43)25-26-4-1-6-28(16-26)30-9-10-37-31(18-30)12-15-54-37/h1-23H,24-25H2,(H,48,49).
What are the key properties of 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one?
4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 704.75 g/mol, XLogP of 7.62, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 123429404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).