8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one

C22H17N5O2 — CID 3234220

IUPAC8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)cc1
InChIInChI=1S/C22H17N5O2/c1-26-12-17(16-5-3-4-6-19(16)26)20-22(28)27(14-7-9-15(29-2)10-8-14)21-18(25-20)11-23-13-24-21/h3-13H,1-2H3
InChIKeyQMXYCGQIZONSRA-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.34
Rot. Bonds3

About 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one

8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3234220) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3234220
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)cc1
InChIInChI=1S/C22H17N5O2/c1-26-12-17(16-5-3-4-6-19(16)26)20-22(28)27(14-7-9-15(29-2)10-8-14)21-18(25-20)11-23-13-24-21/h3-13H,1-2H3
InChIKeyQMXYCGQIZONSRA-UHFFFAOYSA-N
XLogP3.34
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
7-(2,2-Dimethylpropyl)-6-[(5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10004326
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
3-(2-Methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 10739279
1-[4-[(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yl)oxy]-1-oxobutyl]-4-(2-pyrimidinyl)piperazine
CID 15005637
3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879309
1'-[(1-Methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173744
4-[8-(2-Fluoroanilino)-2-(4-methoxyanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 57395293
7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine
CID 73669133
4-[[3-(4-Methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide
CID 90389883
1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline
CID 118416727

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one (CID 3234220) is 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one is COc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is QMXYCGQIZONSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-26-12-17(16-5-3-4-6-19(16)26)20-22(28)27(14-7-9-15(29-2)10-8-14)21-18(25-20)11-23-13-24-21/h3-13H,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one?
8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 383.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3234220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).