[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone

C23H27N5O3 — CID 154576449

IUPAC[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C23H27N5O3/c29-23(19-1-3-20(4-2-19)26-13-15-30-16-14-26)27-10-7-18(8-11-27)17-31-22-6-5-21-24-9-12-28(21)25-22/h1-6,9,12,18H,7-8,10-11,13-17H2
InChIKeyUFXGJCPWDNPOLH-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.50
Rot. Bonds5

About [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 154576449) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID154576449
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C23H27N5O3/c29-23(19-1-3-20(4-2-19)26-13-15-30-16-14-26)27-10-7-18(8-11-27)17-31-22-6-5-21-24-9-12-28(21)25-22/h1-6,9,12,18H,7-8,10-11,13-17H2
InChIKeyUFXGJCPWDNPOLH-UHFFFAOYSA-N
XLogP2.50
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
[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]-(2-methylsulfonylphenyl)methanone
CID 154576433
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 154576480
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
CID 154576436
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
CID 154576499
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 154576280
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
6-[[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
CID 154575410

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone (CID 154576449) is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone is O=C(c1ccc(N2CCOCC2)cc1)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is UFXGJCPWDNPOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c29-23(19-1-3-20(4-2-19)26-13-15-30-16-14-26)27-10-7-18(8-11-27)17-31-22-6-5-21-24-9-12-28(21)25-22/h1-6,9,12,18H,7-8,10-11,13-17H2.
What are the key properties of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 421.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 154576449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).