6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C16H20F3N7O2 — CID 140559001

IUPAC6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(NC3CCC(NC(=O)NCC(F)(F)F)CC3)nn12
InChIInChI=1S/C16H20F3N7O2/c17-16(18,19)8-22-15(28)24-10-3-1-9(2-4-10)23-12-5-6-13-21-7-11(14(20)27)26(13)25-12/h5-7,9-10H,1-4,8H2,(H2,20,27)(H,23,25)(H2,22,24,28)
InChIKeyWBBNKVHOCLEDIF-UHFFFAOYSA-N
MW399.38 g/mol
LogP1.41
Rot. Bonds5

About 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 140559001) has the molecular formula C16H20F3N7O2 and a molecular weight of 399.38 g/mol. Its IUPAC name is 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID140559001
Molecular FormulaC16H20F3N7O2
Molecular Weight399.38 g/mol
Exact Mass399.16
IUPAC Name6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(NC3CCC(NC(=O)NCC(F)(F)F)CC3)nn12
InChIInChI=1S/C16H20F3N7O2/c17-16(18,19)8-22-15(28)24-10-3-1-9(2-4-10)23-12-5-6-13-21-7-11(14(20)27)26(13)25-12/h5-7,9-10H,1-4,8H2,(H2,20,27)(H,23,25)(H2,22,24,28)
InChIKeyWBBNKVHOCLEDIF-UHFFFAOYSA-N
XLogP1.41
TPSA126.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 140559001) is 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(NC3CCC(NC(=O)NCC(F)(F)F)CC3)nn12.
What is the InChIKey of 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WBBNKVHOCLEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7O2/c17-16(18,19)8-22-15(28)24-10-3-1-9(2-4-10)23-12-5-6-13-21-7-11(14(20)27)26(13)25-12/h5-7,9-10H,1-4,8H2,(H2,20,27)(H,23,25)(H2,22,24,28).
What are the key properties of 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 140559001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).