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

C23H26F2N6O3 — CID 166064396

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(N4CCN(C)CC4)cnn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H26F2N6O3/c1-29-5-7-30(8-6-29)16-11-20-26-13-17(31(20)27-12-16)14-9-18(33-2)21(19(10-14)34-23(24)25)22(32)28-15-3-4-15/h9-13,15,23H,3-8H2,1-2H3,(H,28,32)
InChIKeyJKSTUMIJSAYBOI-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.65
Rot. Bonds7

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 166064396) has the molecular formula C23H26F2N6O3 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID166064396
Molecular FormulaC23H26F2N6O3
Molecular Weight472.50 g/mol
Exact Mass472.20
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(N4CCN(C)CC4)cnn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H26F2N6O3/c1-29-5-7-30(8-6-29)16-11-20-26-13-17(31(20)27-12-16)14-9-18(33-2)21(19(10-14)34-23(24)25)22(32)28-15-3-4-15/h9-13,15,23H,3-8H2,1-2H3,(H,28,32)
InChIKeyJKSTUMIJSAYBOI-UHFFFAOYSA-N
XLogP2.65
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)benzamide;fluoromethane
CID 155727755
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349555
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 166009657
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 155727400
4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 166064399
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2,2-dimethylpropoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146275278
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 154636406
4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146273253
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(1-hydroxycyclobutyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 155727602

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 166064396) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide is COc1cc(-c2cnc3cc(N4CCN(C)CC4)cnn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is JKSTUMIJSAYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O3/c1-29-5-7-30(8-6-29)16-11-20-26-13-17(31(20)27-12-16)14-9-18(33-2)21(19(10-14)34-23(24)25)22(32)28-15-3-4-15/h9-13,15,23H,3-8H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 472.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 166064396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).