5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide

C32H33F4N7O2 — CID 147081141

IUPAC5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide
SMILESCCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C32H33F4N7O2/c1-3-41-8-10-42(11-9-41)17-20-13-22(32(34,35)36)15-23(14-20)37-31(45)25-16-24(19(2)12-26(25)33)27-6-7-29-38-28(18-43(29)40-27)39-30(44)21-4-5-21/h6-7,12-16,18,21H,3-5,8-11,17H2,1-2H3,(H,37,45)(H,39,44)
InChIKeyBGYDWYPPQHVYRO-UHFFFAOYSA-N
MW623.66 g/mol
LogP5.60
Rot. Bonds8

About 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide

5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide (PubChem CID 147081141) has the molecular formula C32H33F4N7O2 and a molecular weight of 623.66 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide
PubChem CID147081141
Molecular FormulaC32H33F4N7O2
Molecular Weight623.66 g/mol
Exact Mass623.26
IUPAC Name5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide
SMILESCCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C32H33F4N7O2/c1-3-41-8-10-42(11-9-41)17-20-13-22(32(34,35)36)15-23(14-20)37-31(45)25-16-24(19(2)12-26(25)33)27-6-7-29-38-28(18-43(29)40-27)39-30(44)21-4-5-21/h6-7,12-16,18,21H,3-5,8-11,17H2,1-2H3,(H,37,45)(H,39,44)
InChIKeyBGYDWYPPQHVYRO-UHFFFAOYSA-N
XLogP5.60
TPSA94.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.66
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide (CID 147081141) is 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide is CCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide?
The InChIKey is BGYDWYPPQHVYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F4N7O2/c1-3-41-8-10-42(11-9-41)17-20-13-22(32(34,35)36)15-23(14-20)37-31(45)25-16-24(19(2)12-26(25)33)27-6-7-29-38-28(18-43(29)40-27)39-30(44)21-4-5-21/h6-7,12-16,18,21H,3-5,8-11,17H2,1-2H3,(H,37,45)(H,39,44).
What are the key properties of 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide?
5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide has a molecular weight of 623.66 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 147081141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).