(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine

C21H17N5O2 — CID 71621729

IUPAC(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine
SMILESN[C@H](COc1ccc2ncc(-c3cc4cnccc4o3)n2n1)c1ccccc1
InChIInChI=1S/C21H17N5O2/c22-16(14-4-2-1-3-5-14)13-27-21-7-6-20-24-12-17(26(20)25-21)19-10-15-11-23-9-8-18(15)28-19/h1-12,16H,13,22H2/t16-/m1/s1
InChIKeyKGJTWPRIOJUDDA-MRXNPFEDSA-N
MW371.40 g/mol
LogP3.62
Rot. Bonds5

About (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine

(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine (PubChem CID 71621729) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine
PubChem CID71621729
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine
SMILESN[C@H](COc1ccc2ncc(-c3cc4cnccc4o3)n2n1)c1ccccc1
InChIInChI=1S/C21H17N5O2/c22-16(14-4-2-1-3-5-14)13-27-21-7-6-20-24-12-17(26(20)25-21)19-10-15-11-23-9-8-18(15)28-19/h1-12,16H,13,22H2/t16-/m1/s1
InChIKeyKGJTWPRIOJUDDA-MRXNPFEDSA-N
XLogP3.62
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine?
The IUPAC name of (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine (CID 71621729) is (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine.
What is the SMILES notation for (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine?
The canonical SMILES for (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine is N[C@H](COc1ccc2ncc(-c3cc4cnccc4o3)n2n1)c1ccccc1.
What is the InChIKey of (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine?
The InChIKey is KGJTWPRIOJUDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-16(14-4-2-1-3-5-14)13-27-21-7-6-20-24-12-17(26(20)25-21)19-10-15-11-23-9-8-18(15)28-19/h1-12,16H,13,22H2/t16-/m1/s1.
What are the key properties of (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine?
(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine has a molecular weight of 371.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine is sourced from PubChem (CID 71621729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).