1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol

C22H26F3N7O2 — CID 121426239

IUPAC1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC(O)C1
InChIInChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3
InChIKeyXHADQZSGBXAFFU-UHFFFAOYSA-N
MW477.49 g/mol
LogP2.40
Rot. Bonds5

About 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol

1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol (PubChem CID 121426239) has the molecular formula C22H26F3N7O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
PubChem CID121426239
Molecular FormulaC22H26F3N7O2
Molecular Weight477.49 g/mol
Exact Mass477.21
IUPAC Name1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC(O)C1
InChIInChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3
InChIKeyXHADQZSGBXAFFU-UHFFFAOYSA-N
XLogP2.40
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol (CID 121426239) is 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC(O)C1.
What is the InChIKey of 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
The InChIKey is XHADQZSGBXAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3.
What are the key properties of 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?
1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol has a molecular weight of 477.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 121426239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).