6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine

C22H25N7O — CID 131909865

IUPAC6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)cc1Cn1cccn1
InChIInChI=1S/C22H25N7O/c1-30-20-4-3-18(15-19(20)17-28-9-2-7-24-28)16-26-11-13-27(14-12-26)22-6-5-21-23-8-10-29(21)25-22/h2-10,15H,11-14,16-17H2,1H3
InChIKeyYHRCYYYZKVYZOD-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.30
Rot. Bonds6

About 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine

6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 131909865) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID131909865
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)cc1Cn1cccn1
InChIInChI=1S/C22H25N7O/c1-30-20-4-3-18(15-19(20)17-28-9-2-7-24-28)16-26-11-13-27(14-12-26)22-6-5-21-23-8-10-29(21)25-22/h2-10,15H,11-14,16-17H2,1H3
InChIKeyYHRCYYYZKVYZOD-UHFFFAOYSA-N
XLogP2.30
TPSA63.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 134310576
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
4-[(dimethylamino)methyl]-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56909684
12-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 46955388
[5-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90650492
(9aR)-2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95140203
6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 71850453
(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897451
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45220941
6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine (CID 131909865) is 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine is COc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)cc1Cn1cccn1.
What is the InChIKey of 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is YHRCYYYZKVYZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-30-20-4-3-18(15-19(20)17-28-9-2-7-24-28)16-26-11-13-27(14-12-26)22-6-5-21-23-8-10-29(21)25-22/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 403.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 131909865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).