2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C19H22N4O2 — CID 56824979

IUPAC2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCCC2c2cnn(C)c2)c1
InChIInChI=1S/C19H22N4O2/c1-21-12-15(11-20-21)18-4-3-8-23(18)19(24)13-22-9-7-14-10-16(25-2)5-6-17(14)22/h5-7,9-12,18H,3-4,8,13H2,1-2H3
InChIKeyZBZXANHQHJFHIC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.75
Rot. Bonds4

About 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56824979) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID56824979
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCCC2c2cnn(C)c2)c1
InChIInChI=1S/C19H22N4O2/c1-21-12-15(11-20-21)18-4-3-8-23(18)19(24)13-22-9-7-14-10-16(25-2)5-6-17(14)22/h5-7,9-12,18H,3-4,8,13H2,1-2H3
InChIKeyZBZXANHQHJFHIC-UHFFFAOYSA-N
XLogP2.75
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 56824979) is 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is COc1ccc2c(ccn2CC(=O)N2CCCC2c2cnn(C)c2)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZBZXANHQHJFHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21-12-15(11-20-21)18-4-3-8-23(18)19(24)13-22-9-7-14-10-16(25-2)5-6-17(14)22/h5-7,9-12,18H,3-4,8,13H2,1-2H3.
What are the key properties of 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56824979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).