6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine

C21H24N6O — CID 131930112

IUPAC6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc2[nH]c(CN3CCN(c4ccc5nccn5n4)CC3)c(C)c2c1
InChIInChI=1S/C21H24N6O/c1-15-17-13-16(28-2)3-4-18(17)23-19(15)14-25-9-11-26(12-10-25)21-6-5-20-22-7-8-27(20)24-21/h3-8,13,23H,9-12,14H2,1-2H3
InChIKeyVXOYGFQHYNMXSR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.85
Rot. Bonds4

About 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine

6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 131930112) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID131930112
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc2[nH]c(CN3CCN(c4ccc5nccn5n4)CC3)c(C)c2c1
InChIInChI=1S/C21H24N6O/c1-15-17-13-16(28-2)3-4-18(17)23-19(15)14-25-9-11-26(12-10-25)21-6-5-20-22-7-8-27(20)24-21/h3-8,13,23H,9-12,14H2,1-2H3
InChIKeyVXOYGFQHYNMXSR-UHFFFAOYSA-N
XLogP2.85
TPSA61.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 131909865
6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 71850453
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 134310576
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
4-[2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 91834184
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 118792467
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359
(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 29085132
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
CID 154909128

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine (CID 131930112) is 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine is COc1ccc2[nH]c(CN3CCN(c4ccc5nccn5n4)CC3)c(C)c2c1.
What is the InChIKey of 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is VXOYGFQHYNMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-17-13-16(28-2)3-4-18(17)23-19(15)14-25-9-11-26(12-10-25)21-6-5-20-22-7-8-27(20)24-21/h3-8,13,23H,9-12,14H2,1-2H3.
What are the key properties of 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 376.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 131930112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).