2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine

C18H18ClN7 — CID 87940435

IUPAC2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCCc1c(Cn2ccnc2-c2cccc(Cl)n2)nc2ccc(NC)nn12
InChIInChI=1S/C18H18ClN7/c1-3-14-13(23-17-8-7-16(20-2)24-26(14)17)11-25-10-9-21-18(25)12-5-4-6-15(19)22-12/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKeyRWUMEIIYJSZEFF-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.29
Rot. Bonds5

About 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine

2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 87940435) has the molecular formula C18H18ClN7 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID87940435
Molecular FormulaC18H18ClN7
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC Name2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCCc1c(Cn2ccnc2-c2cccc(Cl)n2)nc2ccc(NC)nn12
InChIInChI=1S/C18H18ClN7/c1-3-14-13(23-17-8-7-16(20-2)24-26(14)17)11-25-10-9-21-18(25)12-5-4-6-15(19)22-12/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKeyRWUMEIIYJSZEFF-UHFFFAOYSA-N
XLogP3.29
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
CID 57456766
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
CID 22335093
6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 57456757
5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 22335063
3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine
CID 22335115
6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
CID 10451188
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine
CID 149144132
2-methyl-6-[1-(pyridin-2-ylmethyl)imidazol-2-yl]pyridine
CID 156586380
6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
CID 58748663
N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine
CID 80664628
3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 57456761

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine (CID 87940435) is 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine is CCc1c(Cn2ccnc2-c2cccc(Cl)n2)nc2ccc(NC)nn12.
What is the InChIKey of 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RWUMEIIYJSZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7/c1-3-14-13(23-17-8-7-16(20-2)24-26(14)17)11-25-10-9-21-18(25)12-5-4-6-15(19)22-12/h4-10H,3,11H2,1-2H3,(H,20,24).
What are the key properties of 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine?
2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 367.84 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-ethyl-N-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 87940435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).