5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

C25H23F3N8O — CID 68672502

IUPAC5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3ncc(-c4ccc5c(cnn5CCN5CCOCC5)c4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C25H23F3N8O/c26-25(27,28)19-12-17(13-31-24(19)29)20-2-4-23-30-15-22(36(23)33-20)16-1-3-21-18(11-16)14-32-35(21)6-5-34-7-9-37-10-8-34/h1-4,11-15H,5-10H2,(H2,29,31)
InChIKeyGKKHWBXFBSEMRR-UHFFFAOYSA-N
MW508.51 g/mol
LogP3.74
Rot. Bonds5

About 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 68672502) has the molecular formula C25H23F3N8O and a molecular weight of 508.51 g/mol. Its IUPAC name is 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID68672502
Molecular FormulaC25H23F3N8O
Molecular Weight508.51 g/mol
Exact Mass508.19
IUPAC Name5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3ncc(-c4ccc5c(cnn5CCN5CCOCC5)c4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C25H23F3N8O/c26-25(27,28)19-12-17(13-31-24(19)29)20-2-4-23-30-15-22(36(23)33-20)16-1-3-21-18(11-16)14-32-35(21)6-5-34-7-9-37-10-8-34/h1-4,11-15H,5-10H2,(H2,29,31)
InChIKeyGKKHWBXFBSEMRR-UHFFFAOYSA-N
XLogP3.74
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 68672502) is 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccc3ncc(-c4ccc5c(cnn5CCN5CCOCC5)c4)n3n2)cc1C(F)(F)F.
What is the InChIKey of 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GKKHWBXFBSEMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8O/c26-25(27,28)19-12-17(13-31-24(19)29)20-2-4-23-30-15-22(36(23)33-20)16-1-3-21-18(11-16)14-32-35(21)6-5-34-7-9-37-10-8-34/h1-4,11-15H,5-10H2,(H2,29,31).
What are the key properties of 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 508.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(2-morpholin-4-ylethyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 68672502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).