(2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine

C21H25N5O3 — CID 71621413

IUPAC(2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
SMILESC[C@H](N)COc1ccc2ncc(-c3cc4c(OCC(C)(C)C)nccc4o3)n2n1
InChIInChI=1S/C21H25N5O3/c1-13(22)11-27-19-6-5-18-24-10-15(26(18)25-19)17-9-14-16(29-17)7-8-23-20(14)28-12-21(2,3)4/h5-10,13H,11-12,22H2,1-4H3/t13-/m0/s1
InChIKeyQXIGXYYQXCDXCW-ZDUSSCGKSA-N
MW395.46 g/mol
LogP3.69
Rot. Bonds6

About (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine

(2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine (PubChem CID 71621413) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
PubChem CID71621413
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name(2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
SMILESC[C@H](N)COc1ccc2ncc(-c3cc4c(OCC(C)(C)C)nccc4o3)n2n1
InChIInChI=1S/C21H25N5O3/c1-13(22)11-27-19-6-5-18-24-10-15(26(18)25-19)17-9-14-16(29-17)7-8-23-20(14)28-12-21(2,3)4/h5-10,13H,11-12,22H2,1-4H3/t13-/m0/s1
InChIKeyQXIGXYYQXCDXCW-ZDUSSCGKSA-N
XLogP3.69
TPSA100.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The IUPAC name of (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine (CID 71621413) is (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine.
What is the SMILES notation for (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The canonical SMILES for (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine is C[C@H](N)COc1ccc2ncc(-c3cc4c(OCC(C)(C)C)nccc4o3)n2n1.
What is the InChIKey of (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The InChIKey is QXIGXYYQXCDXCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13(22)11-27-19-6-5-18-24-10-15(26(18)25-19)17-9-14-16(29-17)7-8-23-20(14)28-12-21(2,3)4/h5-10,13H,11-12,22H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
(2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine has a molecular weight of 395.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[4-(2,2-dimethylpropoxy)furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine is sourced from PubChem (CID 71621413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).