3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol

C20H24N6O3 — CID 123271516

IUPAC3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol
SMILESCC(N)COc1ccc2ncc(-c3cc4c(N(C)CCCO)nccc4o3)n2n1
InChIInChI=1S/C20H24N6O3/c1-13(21)12-28-19-5-4-18-23-11-15(26(18)24-19)17-10-14-16(29-17)6-7-22-20(14)25(2)8-3-9-27/h4-7,10-11,13,27H,3,8-9,12,21H2,1-2H3
InChIKeyUBHFTPQJLYCIQX-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.08
Rot. Bonds8

About 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol

3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol (PubChem CID 123271516) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol
PubChem CID123271516
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol
SMILESCC(N)COc1ccc2ncc(-c3cc4c(N(C)CCCO)nccc4o3)n2n1
InChIInChI=1S/C20H24N6O3/c1-13(21)12-28-19-5-4-18-23-11-15(26(18)24-19)17-10-14-16(29-17)6-7-22-20(14)25(2)8-3-9-27/h4-7,10-11,13,27H,3,8-9,12,21H2,1-2H3
InChIKeyUBHFTPQJLYCIQX-UHFFFAOYSA-N
XLogP2.08
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol (CID 123271516) is 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol is CC(N)COc1ccc2ncc(-c3cc4c(N(C)CCCO)nccc4o3)n2n1.
What is the InChIKey of 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol?
The InChIKey is UBHFTPQJLYCIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13(21)12-28-19-5-4-18-23-11-15(26(18)24-19)17-10-14-16(29-17)6-7-22-20(14)25(2)8-3-9-27/h4-7,10-11,13,27H,3,8-9,12,21H2,1-2H3.
What are the key properties of 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol?
3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol has a molecular weight of 396.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[6-(2-aminopropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 123271516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).