N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide

C15H18F3N5O — CID 157031107

IUPACN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide
SMILESNCc1cn2ncc(C(NC(=O)CCC(F)(F)F)C3CC3)cc2n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)4-3-13(24)22-14(9-1-2-9)10-5-12-21-11(6-19)8-23(12)20-7-10/h5,7-9,14H,1-4,6,19H2,(H,22,24)
InChIKeyFTUBXQSMWFAOGR-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.10
Rot. Bonds6

About N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide

N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide (PubChem CID 157031107) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide
PubChem CID157031107
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide
SMILESNCc1cn2ncc(C(NC(=O)CCC(F)(F)F)C3CC3)cc2n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)4-3-13(24)22-14(9-1-2-9)10-5-12-21-11(6-19)8-23(12)20-7-10/h5,7-9,14H,1-4,6,19H2,(H,22,24)
InChIKeyFTUBXQSMWFAOGR-UHFFFAOYSA-N
XLogP2.10
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide with MolForge

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Related Compounds

N-[3-[6-[(1-methyl-4-piperidyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
CID 53358639
N-(6-(6-amino-5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 59251834
US9873709, Example 2-444
CID 140802691
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
N-[3-(7-{1-[1-(Cyclopropylacetyl)piperidin-4-yl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 57388124
US10213427, Example 65
CID 88574032
US10213427, Example 61
CID 88574033
US10213427, Example 62
CID 88574035
US10213427, Example 78
CID 88574041
US10813930, Ex. No. 92
CID 88574052
US10213427, Example 54
CID 88574099
US10213427, Example 56
CID 88574128

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide (CID 157031107) is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide is NCc1cn2ncc(C(NC(=O)CCC(F)(F)F)C3CC3)cc2n1.
What is the InChIKey of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide?
The InChIKey is FTUBXQSMWFAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)4-3-13(24)22-14(9-1-2-9)10-5-12-21-11(6-19)8-23(12)20-7-10/h5,7-9,14H,1-4,6,19H2,(H,22,24).
What are the key properties of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide?
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide has a molecular weight of 341.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 157031107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).