3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one

C23H22N4O2 — CID 20912849

IUPAC3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
SMILESCCCn1c2ccccc2c2cnn(CC(=O)N3CCc4ccccc43)c(=O)c21
InChIInChI=1S/C23H22N4O2/c1-2-12-26-20-10-6-4-8-17(20)18-14-24-27(23(29)22(18)26)15-21(28)25-13-11-16-7-3-5-9-19(16)25/h3-10,14H,2,11-13,15H2,1H3
InChIKeyVJORKDAJAZMHHE-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.35
Rot. Bonds4

About 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one (PubChem CID 20912849) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
PubChem CID20912849
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
SMILESCCCn1c2ccccc2c2cnn(CC(=O)N3CCc4ccccc43)c(=O)c21
InChIInChI=1S/C23H22N4O2/c1-2-12-26-20-10-6-4-8-17(20)18-14-24-27(23(29)22(18)26)15-21(28)25-13-11-16-7-3-5-9-19(16)25/h3-10,14H,2,11-13,15H2,1H3
InChIKeyVJORKDAJAZMHHE-UHFFFAOYSA-N
XLogP3.35
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912808
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912739
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
CID 177035206
N-(6-acetamido-3-pyridinyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912869
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846385
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 20912886
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607364
1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
CID 20877555
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylindole-3-carbaldehyde
CID 783760
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione
CID 53136254
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one (CID 20912849) is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one is CCCn1c2ccccc2c2cnn(CC(=O)N3CCc4ccccc43)c(=O)c21.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one?
The InChIKey is VJORKDAJAZMHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-12-26-20-10-6-4-8-17(20)18-14-24-27(23(29)22(18)26)15-21(28)25-13-11-16-7-3-5-9-19(16)25/h3-10,14H,2,11-13,15H2,1H3.
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one?
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one has a molecular weight of 386.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 20912849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).