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N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane

C20H21F3N4O4 — CID 155727755

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane
SMILESCF.COc1cnn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1
InChIInChI=1S/C19H18F2N4O4.CH3F/c1-27-12-7-16-22-9-13(25(16)23-8-12)10-5-14(28-2)17(15(6-10)29-19(20)21)18(26)24-11-3-4-11;1-2/h5-9,11,19H,3-4H2,1-2H3,(H,24,26);1H3
InChIKeyNNWZMXAGKVIXEW-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.49
Rot. Bonds7

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane (PubChem CID 155727755) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane
PubChem CID155727755
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane
SMILESCF.COc1cnn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1
InChIInChI=1S/C19H18F2N4O4.CH3F/c1-27-12-7-16-22-9-13(25(16)23-8-12)10-5-14(28-2)17(15(6-10)29-19(20)21)18(26)24-11-3-4-11;1-2/h5-9,11,19H,3-4H2,1-2H3,(H,24,26);1H3
InChIKeyNNWZMXAGKVIXEW-UHFFFAOYSA-N
XLogP3.49
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane (CID 155727755) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane is CF.COc1cnn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane?
The InChIKey is NNWZMXAGKVIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4.CH3F/c1-27-12-7-16-22-9-13(25(16)23-8-12)10-5-14(28-2)17(15(6-10)29-19(20)21)18(26)24-11-3-4-11;1-2/h5-9,11,19H,3-4H2,1-2H3,(H,24,26);1H3.
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane has a molecular weight of 438.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane is sourced from PubChem (CID 155727755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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