[3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

C20H30N6O3 — CID 154817664

IUPAC[3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESCOCCN1CCN(CC2(O)CCCN(C(=O)c3cnc4cccnn34)C2)CC1
InChIInChI=1S/C20H30N6O3/c1-29-13-12-23-8-10-24(11-9-23)15-20(28)5-3-7-25(16-20)19(27)17-14-21-18-4-2-6-22-26(17)18/h2,4,6,14,28H,3,5,7-13,15-16H2,1H3
InChIKeyRQSXNSOAPNUHEC-UHFFFAOYSA-N
MW402.50 g/mol
LogP-0.04
Rot. Bonds6

About [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

[3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (PubChem CID 154817664) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
PubChem CID154817664
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC Name[3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESCOCCN1CCN(CC2(O)CCCN(C(=O)c3cnc4cccnn34)C2)CC1
InChIInChI=1S/C20H30N6O3/c1-29-13-12-23-8-10-24(11-9-23)15-20(28)5-3-7-25(16-20)19(27)17-14-21-18-4-2-6-22-26(17)18/h2,4,6,14,28H,3,5,7-13,15-16H2,1H3
InChIKeyRQSXNSOAPNUHEC-UHFFFAOYSA-N
XLogP-0.04
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The IUPAC name of [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (CID 154817664) is [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The canonical SMILES for [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is COCCN1CCN(CC2(O)CCCN(C(=O)c3cnc4cccnn34)C2)CC1.
What is the InChIKey of [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The InChIKey is RQSXNSOAPNUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-29-13-12-23-8-10-24(11-9-23)15-20(28)5-3-7-25(16-20)19(27)17-14-21-18-4-2-6-22-26(17)18/h2,4,6,14,28H,3,5,7-13,15-16H2,1H3.
What are the key properties of [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
[3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is sourced from PubChem (CID 154817664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).