N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide

C18H21F3N4O — CID 67376261

IUPACN-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide
SMILESCC1(CC(=O)Nc2nc3ccc(C(F)(F)F)nn3c2C2CC2)CCCC1
InChIInChI=1S/C18H21F3N4O/c1-17(8-2-3-9-17)10-14(26)23-16-15(11-4-5-11)25-13(22-16)7-6-12(24-25)18(19,20)21/h6-7,11H,2-5,8-10H2,1H3,(H,23,26)
InChIKeyUMYANQYPGUHAIU-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.53
Rot. Bonds4

About N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide

N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide (PubChem CID 67376261) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide
PubChem CID67376261
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide
SMILESCC1(CC(=O)Nc2nc3ccc(C(F)(F)F)nn3c2C2CC2)CCCC1
InChIInChI=1S/C18H21F3N4O/c1-17(8-2-3-9-17)10-14(26)23-16-15(11-4-5-11)25-13(22-16)7-6-12(24-25)18(19,20)21/h6-7,11H,2-5,8-10H2,1H3,(H,23,26)
InChIKeyUMYANQYPGUHAIU-UHFFFAOYSA-N
XLogP4.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide?
The IUPAC name of N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide (CID 67376261) is N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide.
What is the SMILES notation for N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide?
The canonical SMILES for N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide is CC1(CC(=O)Nc2nc3ccc(C(F)(F)F)nn3c2C2CC2)CCCC1.
What is the InChIKey of N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide?
The InChIKey is UMYANQYPGUHAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-17(8-2-3-9-17)10-14(26)23-16-15(11-4-5-11)25-13(22-16)7-6-12(24-25)18(19,20)21/h6-7,11H,2-5,8-10H2,1H3,(H,23,26).
What are the key properties of N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide?
N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide has a molecular weight of 366.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2-(1-methylcyclopentyl)acetamide is sourced from PubChem (CID 67376261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).