8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine

C22H22F3N7O — CID 137167632

IUPAC8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
SMILESCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27)
InChIKeyRHNMDCDXJHDXEU-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.34
Rot. Bonds4

About 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine

8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 137167632) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
PubChem CID137167632
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
SMILESCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27)
InChIKeyRHNMDCDXJHDXEU-UHFFFAOYSA-N
XLogP4.34
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine (CID 137167632) is 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine is Cc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is RHNMDCDXJHDXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27).
What are the key properties of 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 457.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 137167632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).