(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine

C20H25N5O2 — CID 163278222

IUPAC(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
SMILESC=CCCOc1cc(-c2cc([C@@H](C)NCC)ncc2OC)nn2ccnc12
InChIInChI=1S/C20H25N5O2/c1-5-7-10-27-18-12-17(24-25-9-8-22-20(18)25)15-11-16(14(3)21-6-2)23-13-19(15)26-4/h5,8-9,11-14,21H,1,6-7,10H2,2-4H3/t14-/m1/s1
InChIKeyAXUNKOCBPWAZKH-CQSZACIVSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds9

About (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine

(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine (PubChem CID 163278222) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
PubChem CID163278222
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
SMILESC=CCCOc1cc(-c2cc([C@@H](C)NCC)ncc2OC)nn2ccnc12
InChIInChI=1S/C20H25N5O2/c1-5-7-10-27-18-12-17(24-25-9-8-22-20(18)25)15-11-16(14(3)21-6-2)23-13-19(15)26-4/h5,8-9,11-14,21H,1,6-7,10H2,2-4H3/t14-/m1/s1
InChIKeyAXUNKOCBPWAZKH-CQSZACIVSA-N
XLogP3.43
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine (CID 163278222) is (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine is C=CCCOc1cc(-c2cc([C@@H](C)NCC)ncc2OC)nn2ccnc12.
What is the InChIKey of (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
The InChIKey is AXUNKOCBPWAZKH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-5-7-10-27-18-12-17(24-25-9-8-22-20(18)25)15-11-16(14(3)21-6-2)23-13-19(15)26-4/h5,8-9,11-14,21H,1,6-7,10H2,2-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine has a molecular weight of 367.45 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 163278222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).