4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide

C29H32N6O2 — CID 66695772

IUPAC4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide
SMILESCC(C)CNc1cc(-c2ccc(C(=O)N(C)C)cc2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C29H32N6O2/c1-18(2)16-30-25-15-24(19-5-11-22(12-6-19)29(37)34(3)4)33-35-26(17-31-27(25)35)20-7-9-21(10-8-20)28(36)32-23-13-14-23/h5-12,15,17-18,23,30H,13-14,16H2,1-4H3,(H,32,36)
InChIKeyGHDBNPQCOYLYNC-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.73
Rot. Bonds8

About 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide

4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide (PubChem CID 66695772) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide
PubChem CID66695772
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide
SMILESCC(C)CNc1cc(-c2ccc(C(=O)N(C)C)cc2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C29H32N6O2/c1-18(2)16-30-25-15-24(19-5-11-22(12-6-19)29(37)34(3)4)33-35-26(17-31-27(25)35)20-7-9-21(10-8-20)28(36)32-23-13-14-23/h5-12,15,17-18,23,30H,13-14,16H2,1-4H3,(H,32,36)
InChIKeyGHDBNPQCOYLYNC-UHFFFAOYSA-N
XLogP4.73
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide 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

Ponatinib
CID 24826799
Acalabrutinib
CID 71226662
Bms-582949
CID 10409068
Selonsertib
CID 71245288
Eganelisib
CID 91933883
Ponatinib Hydrochloride
CID 46908927
Solcitinib
CID 44603362
Gsk 343
CID 71268957
Discontinued See A191400
CID 71450146
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide (CID 66695772) is 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide is CC(C)CNc1cc(-c2ccc(C(=O)N(C)C)cc2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is GHDBNPQCOYLYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-18(2)16-30-25-15-24(19-5-11-22(12-6-19)29(37)34(3)4)33-35-26(17-31-27(25)35)20-7-9-21(10-8-20)28(36)32-23-13-14-23/h5-12,15,17-18,23,30H,13-14,16H2,1-4H3,(H,32,36).
What are the key properties of 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide?
4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 496.62 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 66695772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).