1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine

C19H20F3N3O — CID 164579916

IUPAC1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine
SMILESCOc1cccc(C2C=C(C)c3cncn3N2C(C2CC2)C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O/c1-12-8-16(14-4-3-5-15(9-14)26-2)25(24-11-23-10-17(12)24)18(13-6-7-13)19(20,21)22/h3-5,8-11,13,16,18H,6-7H2,1-2H3
InChIKeyOVNDTUHPDXTNPE-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.33
Rot. Bonds4

About 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine (PubChem CID 164579916) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine
PubChem CID164579916
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine
SMILESCOc1cccc(C2C=C(C)c3cncn3N2C(C2CC2)C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O/c1-12-8-16(14-4-3-5-15(9-14)26-2)25(24-11-23-10-17(12)24)18(13-6-7-13)19(20,21)22/h3-5,8-11,13,16,18H,6-7H2,1-2H3
InChIKeyOVNDTUHPDXTNPE-UHFFFAOYSA-N
XLogP4.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine?
The IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine (CID 164579916) is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine.
What is the SMILES notation for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine?
The canonical SMILES for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine is COc1cccc(C2C=C(C)c3cncn3N2C(C2CC2)C(F)(F)F)c1.
What is the InChIKey of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine?
The InChIKey is OVNDTUHPDXTNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-12-8-16(14-4-3-5-15(9-14)26-2)25(24-11-23-10-17(12)24)18(13-6-7-13)19(20,21)22/h3-5,8-11,13,16,18H,6-7H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine?
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine has a molecular weight of 363.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine is sourced from PubChem (CID 164579916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).