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

C22H24N4O2 — CID 154576429

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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Related Compounds

[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 154576135
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 154576110
(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154583531
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 154576121
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217

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).