7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one

C20H13ClF3N3O — CID 146623951

IUPAC7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one
SMILESCc1[nH]n2c(-c3ccccc3)c(C(F)(F)F)nc2c(=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H13ClF3N3O/c1-11-15(13-8-5-9-14(21)10-13)17(28)19-25-18(20(22,23)24)16(27(19)26-11)12-6-3-2-4-7-12/h2-10,26H,1H3
InChIKeyCPRDBNFUTONJBU-UHFFFAOYSA-N
MW403.79 g/mol
LogP5.34
Rot. Bonds2

About 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one

7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one (PubChem CID 146623951) has the molecular formula C20H13ClF3N3O and a molecular weight of 403.79 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one
PubChem CID146623951
Molecular FormulaC20H13ClF3N3O
Molecular Weight403.79 g/mol
Exact Mass403.07
IUPAC Name7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one
SMILESCc1[nH]n2c(-c3ccccc3)c(C(F)(F)F)nc2c(=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H13ClF3N3O/c1-11-15(13-8-5-9-14(21)10-13)17(28)19-25-18(20(22,23)24)16(27(19)26-11)12-6-3-2-4-7-12/h2-10,26H,1H3
InChIKeyCPRDBNFUTONJBU-UHFFFAOYSA-N
XLogP5.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.79
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorophenyl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138573089
5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606555
2-[(3-chlorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769211
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4898037
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
CID 67021408
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
CID 68816519

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one?
The IUPAC name of 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one (CID 146623951) is 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one.
What is the SMILES notation for 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one?
The canonical SMILES for 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one is Cc1[nH]n2c(-c3ccccc3)c(C(F)(F)F)nc2c(=O)c1-c1cccc(Cl)c1.
What is the InChIKey of 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one?
The InChIKey is CPRDBNFUTONJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O/c1-11-15(13-8-5-9-14(21)10-13)17(28)19-25-18(20(22,23)24)16(27(19)26-11)12-6-3-2-4-7-12/h2-10,26H,1H3.
What are the key properties of 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one?
7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one has a molecular weight of 403.79 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-6-methyl-3-phenyl-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazin-8-one is sourced from PubChem (CID 146623951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).