2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide

C21H22N6O2 — CID 126953445

IUPAC2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(c4ccc5nccn5n4)CC3)cccc21
InChIInChI=1S/C21H22N6O2/c22-19(28)14-26-12-8-16-17(26)2-1-3-18(16)29-15-6-10-25(11-7-15)21-5-4-20-23-9-13-27(20)24-21/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H2,22,28)
InChIKeyBICKMBUICRDYGV-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide

2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide (PubChem CID 126953445) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
PubChem CID126953445
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(c4ccc5nccn5n4)CC3)cccc21
InChIInChI=1S/C21H22N6O2/c22-19(28)14-26-12-8-16-17(26)2-1-3-18(16)29-15-6-10-25(11-7-15)21-5-4-20-23-9-13-27(20)24-21/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H2,22,28)
InChIKeyBICKMBUICRDYGV-UHFFFAOYSA-N
XLogP2.22
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953596
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953562
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
2-[4-[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953334
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
CID 126952470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide (CID 126953445) is 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide is NC(=O)Cn1ccc2c(OC3CCN(c4ccc5nccn5n4)CC3)cccc21.
What is the InChIKey of 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide?
The InChIKey is BICKMBUICRDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-19(28)14-26-12-8-16-17(26)2-1-3-18(16)29-15-6-10-25(11-7-15)21-5-4-20-23-9-13-27(20)24-21/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H2,22,28).
What are the key properties of 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide?
2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).