1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one

C26H25F2N5O2 — CID 134382313

IUPAC1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one
SMILESCc1ccc(OC(F)F)c(Cn2c3cc(-c4cnn5c(C(C)C)cnc5c4)ccc3c(=O)n2C)c1
InChIInChI=1S/C26H25F2N5O2/c1-15(2)22-13-29-24-11-18(12-30-33(22)24)17-6-7-20-21(10-17)32(31(4)25(20)34)14-19-9-16(3)5-8-23(19)35-26(27)28/h5-13,15,26H,14H2,1-4H3
InChIKeyRNJFQDMNGSJIHP-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.13
Rot. Bonds6

About 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one

1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one (PubChem CID 134382313) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one
PubChem CID134382313
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one
SMILESCc1ccc(OC(F)F)c(Cn2c3cc(-c4cnn5c(C(C)C)cnc5c4)ccc3c(=O)n2C)c1
InChIInChI=1S/C26H25F2N5O2/c1-15(2)22-13-29-24-11-18(12-30-33(22)24)17-6-7-20-21(10-17)32(31(4)25(20)34)14-19-9-16(3)5-8-23(19)35-26(27)28/h5-13,15,26H,14H2,1-4H3
InChIKeyRNJFQDMNGSJIHP-UHFFFAOYSA-N
XLogP5.13
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one?
The IUPAC name of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one (CID 134382313) is 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one?
The canonical SMILES for 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one is Cc1ccc(OC(F)F)c(Cn2c3cc(-c4cnn5c(C(C)C)cnc5c4)ccc3c(=O)n2C)c1.
What is the InChIKey of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one?
The InChIKey is RNJFQDMNGSJIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-15(2)22-13-29-24-11-18(12-30-33(22)24)17-6-7-20-21(10-17)32(31(4)25(20)34)14-19-9-16(3)5-8-23(19)35-26(27)28/h5-13,15,26H,14H2,1-4H3.
What are the key properties of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one?
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one has a molecular weight of 477.52 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(3-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)indazol-3-one is sourced from PubChem (CID 134382313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).