1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one

C23H30N4O3 — CID 58505907

IUPAC1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
SMILESCOCCn1cc(-c2cc(C(=O)CCCN3CCOCC3)nn2C)c2ccccc21
InChIInChI=1S/C23H30N4O3/c1-25-22(19-17-27(12-13-29-2)21-7-4-3-6-18(19)21)16-20(24-25)23(28)8-5-9-26-10-14-30-15-11-26/h3-4,6-7,16-17H,5,8-15H2,1-2H3
InChIKeyRRPXLLBURHSMKU-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.98
Rot. Bonds9

About 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one

1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one (PubChem CID 58505907) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
PubChem CID58505907
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
SMILESCOCCn1cc(-c2cc(C(=O)CCCN3CCOCC3)nn2C)c2ccccc21
InChIInChI=1S/C23H30N4O3/c1-25-22(19-17-27(12-13-29-2)21-7-4-3-6-18(19)21)16-20(24-25)23(28)8-5-9-26-10-14-30-15-11-26/h3-4,6-7,16-17H,5,8-15H2,1-2H3
InChIKeyRRPXLLBURHSMKU-UHFFFAOYSA-N
XLogP2.98
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one (CID 58505907) is 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one is COCCn1cc(-c2cc(C(=O)CCCN3CCOCC3)nn2C)c2ccccc21.
What is the InChIKey of 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is RRPXLLBURHSMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-25-22(19-17-27(12-13-29-2)21-7-4-3-6-18(19)21)16-20(24-25)23(28)8-5-9-26-10-14-30-15-11-26/h3-4,6-7,16-17H,5,8-15H2,1-2H3.
What are the key properties of 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 410.52 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 58505907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).