1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one

C20H23N3O3 — CID 91177029

IUPAC1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one
SMILESCOc1ccc(-c2cnc3[nH]cc(CC(=O)CC(C)C)c3n2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-12(2)7-15(24)8-14-10-21-20-19(14)23-16(11-22-20)13-5-6-17(25-3)18(9-13)26-4/h5-6,9-12H,7-8H2,1-4H3,(H,21,22)
InChIKeyVCBKTJXTGCGBFN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.80
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one

1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one (PubChem CID 91177029) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one
PubChem CID91177029
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one
SMILESCOc1ccc(-c2cnc3[nH]cc(CC(=O)CC(C)C)c3n2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-12(2)7-15(24)8-14-10-21-20-19(14)23-16(11-22-20)13-5-6-17(25-3)18(9-13)26-4/h5-6,9-12H,7-8H2,1-4H3,(H,21,22)
InChIKeyVCBKTJXTGCGBFN-UHFFFAOYSA-N
XLogP3.80
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
Bay 61-3606
CID 10200390
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
N-(Propan-2-Yl)-2-(3,4,5-Trimethoxyphenyl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 44205381
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one (CID 91177029) is 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one is COc1ccc(-c2cnc3[nH]cc(CC(=O)CC(C)C)c3n2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one?
The InChIKey is VCBKTJXTGCGBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)7-15(24)8-14-10-21-20-19(14)23-16(11-22-20)13-5-6-17(25-3)18(9-13)26-4/h5-6,9-12H,7-8H2,1-4H3,(H,21,22).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one?
1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-methylpentan-2-one is sourced from PubChem (CID 91177029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).