(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

C19H20ClN5O — CID 87051170

IUPAC(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3cn4nc(Cl)ccc4n3)CC2)c1
InChIInChI=1S/C19H20ClN5O/c1-13-3-4-14(2)16(11-13)23-7-9-24(10-8-23)19(26)15-12-25-18(21-15)6-5-17(20)22-25/h3-6,11-12H,7-10H2,1-2H3
InChIKeyTZXFZMIAMATVBA-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.96
Rot. Bonds2

About (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 87051170) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID87051170
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3cn4nc(Cl)ccc4n3)CC2)c1
InChIInChI=1S/C19H20ClN5O/c1-13-3-4-14(2)16(11-13)23-7-9-24(10-8-23)19(26)15-12-25-18(21-15)6-5-17(20)22-25/h3-6,11-12H,7-10H2,1-2H3
InChIKeyTZXFZMIAMATVBA-UHFFFAOYSA-N
XLogP2.96
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone
CID 53166436
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
(6-ethoxyimidazo[1,2-b]pyridazin-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 53166458
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
CID 171811240
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891411
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
CID 121066902
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511296
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (CID 87051170) is (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)c3cn4nc(Cl)ccc4n3)CC2)c1.
What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is TZXFZMIAMATVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-3-4-14(2)16(11-13)23-7-9-24(10-8-23)19(26)15-12-25-18(21-15)6-5-17(20)22-25/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 369.86 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 87051170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).