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

C24H22F3N9O — CID 59613312

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

5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 59613312) has the molecular formula C24H22F3N9O and a molecular weight of 509.50 g/mol. Its IUPAC name is 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 59613312
• Molecular Formula: C24H22F3N9O
• Molecular Weight: 509.50 g/mol
• Exact Mass: 509.19
• IUPAC Name: 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: Nc1ncc(-c2ccc3ncc(-c4cnc5c(cnn5CCN5CCOCC5)c4)n3n2)cc1C(F)(F)F
• InChI: InChI=1S/C24H22F3N9O/c25-24(26,27)18-10-15(11-30-22(18)28)19-1-2-21-29-14-20(36(21)33-19)16-9-17-13-32-35(23(17)31-12-16)4-3-34-5-7-37-8-6-34/h1-2,9-14H,3-8H2,(H2,28,30)
• InChIKey: SAPFMOCAWPCXQB-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 112.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.50
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-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)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 59613312) is 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-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)pyrazolo[3,4-b]pyridin-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)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccc3ncc(-c4cnc5c(cnn5CCN5CCOCC5)c4)n3n2)cc1C(F)(F)F.

What is the InChIKey of 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is SAPFMOCAWPCXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N9O/c25-24(26,27)18-10-15(11-30-22(18)28)19-1-2-21-29-14-20(36(21)33-19)16-9-17-13-32-35(23(17)31-12-16)4-3-34-5-7-37-8-6-34/h1-2,9-14H,3-8H2,(H2,28,30).

What are the key properties of 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?

5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 509.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59613312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).