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

C15H20F3N5O — CID 157031785

IUPACN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide
SMILESCC(C)C(NC(=O)CCC(F)(F)F)c1cnn2cc(CN)nc2c1
InChIInChI=1S/C15H20F3N5O/c1-9(2)14(22-13(24)3-4-15(16,17)18)10-5-12-21-11(6-19)8-23(12)20-7-10/h5,7-9,14H,3-4,6,19H2,1-2H3,(H,22,24)
InChIKeyLBCCTQUYDLNJLP-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.34
Rot. Bonds6

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

N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide (PubChem CID 157031785) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide
PubChem CID157031785
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide
SMILESCC(C)C(NC(=O)CCC(F)(F)F)c1cnn2cc(CN)nc2c1
InChIInChI=1S/C15H20F3N5O/c1-9(2)14(22-13(24)3-4-15(16,17)18)10-5-12-21-11(6-19)8-23(12)20-7-10/h5,7-9,14H,3-4,6,19H2,1-2H3,(H,22,24)
InChIKeyLBCCTQUYDLNJLP-UHFFFAOYSA-N
XLogP2.34
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
1-[4-[4-[(5-Propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]ethanone
CID 145979845
N-[(3R)-1-(2,6-dimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
CID 135217259
US10213427, Example 89
CID 88573984
US10213427, Example 65
CID 88574032
US10213427, Example 61
CID 88574033
US10213427, Example 62
CID 88574035
US10213427, Example 54
CID 88574099
US10213427, Example 56
CID 88574128
US10213427, Example 55
CID 90368066
US10213427, Example 60
CID 90368081

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide (CID 157031785) is N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide is CC(C)C(NC(=O)CCC(F)(F)F)c1cnn2cc(CN)nc2c1.
What is the InChIKey of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide?
The InChIKey is LBCCTQUYDLNJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-9(2)14(22-13(24)3-4-15(16,17)18)10-5-12-21-11(6-19)8-23(12)20-7-10/h5,7-9,14H,3-4,6,19H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide?
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide has a molecular weight of 343.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 157031785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).