1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone

C22H23N5O2 — CID 154576499

IUPAC1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(15-26-13-9-18-3-1-2-4-19(18)26)25-11-7-17(8-12-25)16-29-21-6-5-20-23-10-14-27(20)24-21/h1-6,9-10,13-14,17H,7-8,11-12,15-16H2
InChIKeyMTHMTBPOTNBJPA-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone

1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone (PubChem CID 154576499) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
PubChem CID154576499
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(15-26-13-9-18-3-1-2-4-19(18)26)25-11-7-17(8-12-25)16-29-21-6-5-20-23-10-14-27(20)24-21/h1-6,9-10,13-14,17H,7-8,11-12,15-16H2
InChIKeyMTHMTBPOTNBJPA-UHFFFAOYSA-N
XLogP3.00
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone with MolForge

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Related Compounds

N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
CID 154576436
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 154576433
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 154576480
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576272
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 154576449
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone (CID 154576499) is 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone?
The InChIKey is MTHMTBPOTNBJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(15-26-13-9-18-3-1-2-4-19(18)26)25-11-7-17(8-12-25)16-29-21-6-5-20-23-10-14-27(20)24-21/h1-6,9-10,13-14,17H,7-8,11-12,15-16H2.
What are the key properties of 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone?
1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone has a molecular weight of 389.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 154576499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).