1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone

C23H21N3O3 — CID 86728681

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
SMILESCOc1ccc2[nH]cc(C(=O)C(Nc3ccnc(OC)c3)c3ccccc3)c2c1
InChIInChI=1S/C23H21N3O3/c1-28-17-8-9-20-18(13-17)19(14-25-20)23(27)22(15-6-4-3-5-7-15)26-16-10-11-24-21(12-16)29-2/h3-14,22,25H,1-2H3,(H,24,26)
InChIKeyAKDZWCVSYBUPLQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.62
Rot. Bonds7

About 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone

1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone (PubChem CID 86728681) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
PubChem CID86728681
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
SMILESCOc1ccc2[nH]cc(C(=O)C(Nc3ccnc(OC)c3)c3ccccc3)c2c1
InChIInChI=1S/C23H21N3O3/c1-28-17-8-9-20-18(13-17)19(14-25-20)23(27)22(15-6-4-3-5-7-15)26-16-10-11-24-21(12-16)29-2/h3-14,22,25H,1-2H3,(H,24,26)
InChIKeyAKDZWCVSYBUPLQ-UHFFFAOYSA-N
XLogP4.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
CID 86728658
1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
CID 86728916
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methoxy-3-pyridinyl)ethanone
CID 86728843
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-7-ylethanone
CID 86728634
1-(1H-indol-3-yl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-2-phenylethanone
CID 86728918
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
CID 86272430
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone (CID 86728681) is 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone is COc1ccc2[nH]cc(C(=O)C(Nc3ccnc(OC)c3)c3ccccc3)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone?
The InChIKey is AKDZWCVSYBUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-17-8-9-20-18(13-17)19(14-25-20)23(27)22(15-6-4-3-5-7-15)26-16-10-11-24-21(12-16)29-2/h3-14,22,25H,1-2H3,(H,24,26).
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone?
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone has a molecular weight of 387.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone is sourced from PubChem (CID 86728681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).