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[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone

C22H24N4O2 — CID 154576429

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)c2ccccc21
InChIInChI=1S/C22H24N4O2/c1-25-13-18(17-4-2-3-5-20(17)25)22(27)26-11-10-15(12-26)14-28-21-9-8-19(23-24-21)16-6-7-16/h2-5,8-9,13,15-16H,6-7,10-12,14H2,1H3
InChIKeyUREHOBOGNKXDPL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.39
Rot. Bonds5

About [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone

[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 154576429) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID154576429
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)c2ccccc21
InChIInChI=1S/C22H24N4O2/c1-25-13-18(17-4-2-3-5-20(17)25)22(27)26-11-10-15(12-26)14-28-21-9-8-19(23-24-21)16-6-7-16/h2-5,8-9,13,15-16H,6-7,10-12,14H2,1H3
InChIKeyUREHOBOGNKXDPL-UHFFFAOYSA-N
XLogP3.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone (CID 154576429) is [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)c2ccccc21.
What is the InChIKey of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is UREHOBOGNKXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-13-18(17-4-2-3-5-20(17)25)22(27)26-11-10-15(12-26)14-28-21-9-8-19(23-24-21)16-6-7-16/h2-5,8-9,13,15-16H,6-7,10-12,14H2,1H3.
What are the key properties of [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 154576429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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