N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide

C26H25F3N6O2 — CID 57386929

IUPACN,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide
SMILESCC(C(=O)N(C)C)c1ccc(-c2cnn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cc1
InChIInChI=1S/C26H25F3N6O2/c1-16(24(36)34(2)3)17-7-9-18(10-8-17)20-12-23-30-14-22(35(23)32-13-20)19-5-4-6-21(11-19)33-25(37)31-15-26(27,28)29/h4-14,16H,15H2,1-3H3,(H2,31,33,37)
InChIKeyTUUBAFLKGQUQQC-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.94
Rot. Bonds6

About N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide

N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide (PubChem CID 57386929) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide
PubChem CID57386929
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide
SMILESCC(C(=O)N(C)C)c1ccc(-c2cnn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cc1
InChIInChI=1S/C26H25F3N6O2/c1-16(24(36)34(2)3)17-7-9-18(10-8-17)20-12-23-30-14-22(35(23)32-13-20)19-5-4-6-21(11-19)33-25(37)31-15-26(27,28)29/h4-14,16H,15H2,1-3H3,(H2,31,33,37)
InChIKeyTUUBAFLKGQUQQC-UHFFFAOYSA-N
XLogP4.94
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide 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

N-(oxolan-2-ylmethyl)-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide
CID 76533620
1-[3-[7-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 67980550
N-(oxan-4-yl)-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]propanamide
CID 57384888
1-[3-[7-[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 57388124
tert-butyl 4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67980046
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
1-[3-[7-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321119
[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]boronic acid
CID 59320848
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321137
2-[[3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
CID 147547585
1-[3-(7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320981

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide (CID 57386929) is N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide is CC(C(=O)N(C)C)c1ccc(-c2cnn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide?
The InChIKey is TUUBAFLKGQUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-16(24(36)34(2)3)17-7-9-18(10-8-17)20-12-23-30-14-22(35(23)32-13-20)19-5-4-6-21(11-19)33-25(37)31-15-26(27,28)29/h4-14,16H,15H2,1-3H3,(H2,31,33,37).
What are the key properties of N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide?
N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide has a molecular weight of 510.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide is sourced from PubChem (CID 57386929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).