2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide

C24H25F3N8O2 — CID 88574099

IUPAC2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide
SMILESCC(/N=C/C(=C\N)c1cnn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)C(=O)NC1CC1
InChIInChI=1S/C24H25F3N8O2/c1-14(22(36)33-18-5-6-18)29-10-17(9-28)16-8-21-30-12-20(35(21)32-11-16)15-3-2-4-19(7-15)34-23(37)31-13-24(25,26)27/h2-4,7-12,14,18H,5-6,13,28H2,1H3,(H,33,36)(H2,31,34,37)/b17-9+,29-10+
InChIKeyDOZRGUJKBYZASZ-LVEDGAQWSA-N
MW514.51 g/mol
LogP3.12
Rot. Bonds8

About 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide

2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide (PubChem CID 88574099) has the molecular formula C24H25F3N8O2 and a molecular weight of 514.51 g/mol. Its IUPAC name is 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide
PubChem CID88574099
Molecular FormulaC24H25F3N8O2
Molecular Weight514.51 g/mol
Exact Mass514.21
IUPAC Name2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide
SMILESCC(/N=C/C(=C\N)c1cnn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)C(=O)NC1CC1
InChIInChI=1S/C24H25F3N8O2/c1-14(22(36)33-18-5-6-18)29-10-17(9-28)16-8-21-30-12-20(35(21)32-11-16)15-3-2-4-19(7-15)34-23(37)31-13-24(25,26)27/h2-4,7-12,14,18H,5-6,13,28H2,1H3,(H,33,36)(H2,31,34,37)/b17-9+,29-10+
InChIKeyDOZRGUJKBYZASZ-LVEDGAQWSA-N
XLogP3.12
TPSA138.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide with MolForge

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Related Compounds

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CID 127053611
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CID 165368930
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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide (CID 88574099) is 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide is CC(/N=C/C(=C\N)c1cnn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1)C(=O)NC1CC1.
What is the InChIKey of 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide?
The InChIKey is DOZRGUJKBYZASZ-LVEDGAQWSA-N. The full InChI is InChI=1S/C24H25F3N8O2/c1-14(22(36)33-18-5-6-18)29-10-17(9-28)16-8-21-30-12-20(35(21)32-11-16)15-3-2-4-19(7-15)34-23(37)31-13-24(25,26)27/h2-4,7-12,14,18H,5-6,13,28H2,1H3,(H,33,36)(H2,31,34,37)/b17-9+,29-10+.
What are the key properties of 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide?
2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide has a molecular weight of 514.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]prop-2-enylidene]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 88574099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).