N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C22H26F3N5O — CID 66603834

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCN1CCC(CNc2nn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cc2C)CC1
InChIInChI=1S/C22H26F3N5O/c1-3-29-10-8-16(9-11-29)13-27-21-15(2)12-20-26-14-19(30(20)28-21)17-4-6-18(7-5-17)31-22(23,24)25/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H,27,28)
InChIKeyKOBFLQNJEUWDHH-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.75
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66603834) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66603834
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCN1CCC(CNc2nn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cc2C)CC1
InChIInChI=1S/C22H26F3N5O/c1-3-29-10-8-16(9-11-29)13-27-21-15(2)12-20-26-14-19(30(20)28-21)17-4-6-18(7-5-17)31-22(23,24)25/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H,27,28)
InChIKeyKOBFLQNJEUWDHH-UHFFFAOYSA-N
XLogP4.75
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 66603834) is N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is CCN1CCC(CNc2nn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cc2C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KOBFLQNJEUWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-3-29-10-8-16(9-11-29)13-27-21-15(2)12-20-26-14-19(30(20)28-21)17-4-6-18(7-5-17)31-22(23,24)25/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H,27,28).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 433.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66603834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).