N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

C28H28FN5O3 — CID 118732123

IUPACN-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccccc4F)nn23)cc1
InChIInChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)
InChIKeyNDUHFMWXJWOROS-UHFFFAOYSA-N
MW501.56 g/mol
LogP5.06
Rot. Bonds8

About N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 118732123) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID118732123
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC NameN-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccccc4F)nn23)cc1
InChIInChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)
InChIKeyNDUHFMWXJWOROS-UHFFFAOYSA-N
XLogP5.06
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tak-593
CID 24767976
Bay-1217389
CID 78320750
N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)-6-(1,1,1-trifluoro-2-methylpropan-2-ylamino)imidazo(1,2-b)pyridazin-3-yl)benzamide
CID 66603863
Mbm-55
CID 137636872
HCAR2 agonist 1
CID 25101223
N-Cyclopropyl-2-Methyl-4-(7-{[2-(Morpholin-4-Yl)ethyl]amino}-5-Phenoxypyrazolo[1,5-A]pyrimidin-3-Yl)benzamide
CID 90176196
N-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
CID 156340524
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 24767979
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 44181153
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 70988670

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 118732123) is N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccccc4F)nn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is NDUHFMWXJWOROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35).
What are the key properties of N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 501.56 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(2-fluorophenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 118732123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).