1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione

C24H22N4O3 — CID 90560341

IUPAC1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C24H22N4O3/c1-15-21(19-8-4-5-9-20(19)26-15)22(29)24(30)28-12-10-17(11-13-28)31-23-18-7-3-2-6-16(18)14-25-27-23/h2-9,14,17,26H,10-13H2,1H3
InChIKeyVIYQNMPFPPUSCL-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione

1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione (PubChem CID 90560341) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
PubChem CID90560341
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C24H22N4O3/c1-15-21(19-8-4-5-9-20(19)26-15)22(29)24(30)28-12-10-17(11-13-28)31-23-18-7-3-2-6-16(18)14-25-27-23/h2-9,14,17,26H,10-13H2,1H3
InChIKeyVIYQNMPFPPUSCL-UHFFFAOYSA-N
XLogP3.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 90637868
(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 90560342
1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560162
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 166210029
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117507
3-(benzenesulfonyl)-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560390

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione (CID 90560341) is 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione is Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione?
The InChIKey is VIYQNMPFPPUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-21(19-8-4-5-9-20(19)26-15)22(29)24(30)28-12-10-17(11-13-28)31-23-18-7-3-2-6-16(18)14-25-27-23/h2-9,14,17,26H,10-13H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione?
1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione has a molecular weight of 414.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 90560341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).