7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine

C20H23ClN4O — CID 18516048

IUPAC7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine
SMILESCCc1nc2c(C(CC)C3CC3)nnc(-c3ccc(OC)cc3Cl)c2[nH]1
InChIInChI=1S/C20H23ClN4O/c1-4-13(11-6-7-11)17-19-20(23-16(5-2)22-19)18(25-24-17)14-9-8-12(26-3)10-15(14)21/h8-11,13H,4-7H2,1-3H3,(H,22,23)
InChIKeyRMDUYSZUFNEOHW-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.15
Rot. Bonds6

About 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine

7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine (PubChem CID 18516048) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine
PubChem CID18516048
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine
SMILESCCc1nc2c(C(CC)C3CC3)nnc(-c3ccc(OC)cc3Cl)c2[nH]1
InChIInChI=1S/C20H23ClN4O/c1-4-13(11-6-7-11)17-19-20(23-16(5-2)22-19)18(25-24-17)14-9-8-12(26-3)10-15(14)21/h8-11,13H,4-7H2,1-3H3,(H,22,23)
InChIKeyRMDUYSZUFNEOHW-UHFFFAOYSA-N
XLogP5.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-4-chloro-1-methyl-1H-pyrazol-5-yl)-6-(2-chlorophenyl)-4-methoxy-3H-imidazo[4,5-c]pyridine
CID 136073152
4-(Azetidin-1-yl)-5-[5-(2-chloro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68182126
8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-9H-purine
CID 11531100
3-(2-chloro-4-methoxyphenyl)-2,5,6-trimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56665181
3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56678852
2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
CID 136510204
2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2303842
5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 52437110
US10183946, Example 3
CID 121320495
4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 18511099
4-(1-cyclopropylbutyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine
CID 18516009
4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine
CID 18516010

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine?
The IUPAC name of 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine (CID 18516048) is 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine.
What is the SMILES notation for 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine?
The canonical SMILES for 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine is CCc1nc2c(C(CC)C3CC3)nnc(-c3ccc(OC)cc3Cl)c2[nH]1.
What is the InChIKey of 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine?
The InChIKey is RMDUYSZUFNEOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-4-13(11-6-7-11)17-19-20(23-16(5-2)22-19)18(25-24-17)14-9-8-12(26-3)10-15(14)21/h8-11,13H,4-7H2,1-3H3,(H,22,23).
What are the key properties of 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine?
7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine has a molecular weight of 370.88 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine is sourced from PubChem (CID 18516048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).