6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one

C22H21N3O3 — CID 142627898

IUPAC6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one
SMILESCOc1ccc(N2CC3=C(N=CCN3)C2=O)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C22H21N3O3/c1-27-19-7-6-16(25-13-18-21(22(25)26)24-9-8-23-18)12-20(19)28-17-10-14-4-2-3-5-15(14)11-17/h2-7,9,12,17,23H,8,10-11,13H2,1H3
InChIKeyIAZQXPKQZXZBOA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.47
Rot. Bonds4

About 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one

6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one (PubChem CID 142627898) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one
PubChem CID142627898
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one
SMILESCOc1ccc(N2CC3=C(N=CCN3)C2=O)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C22H21N3O3/c1-27-19-7-6-16(25-13-18-21(22(25)26)24-9-8-23-18)12-20(19)28-17-10-14-4-2-3-5-15(14)11-17/h2-7,9,12,17,23H,8,10-11,13H2,1H3
InChIKeyIAZQXPKQZXZBOA-UHFFFAOYSA-N
XLogP2.47
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one with MolForge

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Related Compounds

3-(cyclopropylmethyl)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121512
2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-ethenyl-3H-isoindol-1-one
CID 142627953
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one
CID 14010200
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 67669438
5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one
CID 68618244
2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
CID 25267017
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]benzamide
CID 10594629
6-amino-2-[3-(3-hydroxycyclopentyl)oxy-4-methoxyphenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57300767
3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23030991
6-amino-2-(3,4-dimethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 67669552
6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57006155
2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 142665259

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one (CID 142627898) is 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one is COc1ccc(N2CC3=C(N=CCN3)C2=O)cc1OC1Cc2ccccc2C1.
What is the InChIKey of 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one?
The InChIKey is IAZQXPKQZXZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-19-7-6-16(25-13-18-21(22(25)26)24-9-8-23-18)12-20(19)28-17-10-14-4-2-3-5-15(14)11-17/h2-7,9,12,17,23H,8,10-11,13H2,1H3.
What are the key properties of 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one?
6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one has a molecular weight of 375.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 142627898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).