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

C26H25F3N8O — CID 59613286

IUPAC5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3ncc(-c4ccc5c(cnn5CCCN5CCOCC5)c4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C26H25F3N8O/c27-26(28,29)20-13-18(14-32-25(20)30)21-3-5-24-31-16-23(37(24)34-21)17-2-4-22-19(12-17)15-33-36(22)7-1-6-35-8-10-38-11-9-35/h2-5,12-16H,1,6-11H2,(H2,30,32)
InChIKeyWDFQCQDYFLCRAY-UHFFFAOYSA-N
MW522.54 g/mol
LogP4.13
Rot. Bonds6

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

5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 59613286) has the molecular formula C26H25F3N8O and a molecular weight of 522.54 g/mol. Its IUPAC name is 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID59613286
Molecular FormulaC26H25F3N8O
Molecular Weight522.54 g/mol
Exact Mass522.21
IUPAC Name5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3ncc(-c4ccc5c(cnn5CCCN5CCOCC5)c4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C26H25F3N8O/c27-26(28,29)20-13-18(14-32-25(20)30)21-3-5-24-31-16-23(37(24)34-21)17-2-4-22-19(12-17)15-33-36(22)7-1-6-35-8-10-38-11-9-35/h2-5,12-16H,1,6-11H2,(H2,30,32)
InChIKeyWDFQCQDYFLCRAY-UHFFFAOYSA-N
XLogP4.13
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 59613286) is 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccc3ncc(-c4ccc5c(cnn5CCCN5CCOCC5)c4)n3n2)cc1C(F)(F)F.
What is the InChIKey of 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WDFQCQDYFLCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O/c27-26(28,29)20-13-18(14-32-25(20)30)21-3-5-24-31-16-23(37(24)34-21)17-2-4-22-19(12-17)15-33-36(22)7-1-6-35-8-10-38-11-9-35/h2-5,12-16H,1,6-11H2,(H2,30,32).
What are the key properties of 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 522.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(3-morpholin-4-ylpropyl)indazol-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59613286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).