2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine

C18H21N5O — CID 72706803

IUPAC2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(OCc3cccc(N4CCCC4)n3)nn2c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)23-17(19-13)8-9-18(21-23)24-12-15-6-5-7-16(20-15)22-10-3-4-11-22/h5-9H,3-4,10-12H2,1-2H3
InChIKeyACJRUMLPHWHQHH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds4

About 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine (PubChem CID 72706803) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine
PubChem CID72706803
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(OCc3cccc(N4CCCC4)n3)nn2c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)23-17(19-13)8-9-18(21-23)24-12-15-6-5-7-16(20-15)22-10-3-4-11-22/h5-9H,3-4,10-12H2,1-2H3
InChIKeyACJRUMLPHWHQHH-UHFFFAOYSA-N
XLogP2.92
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine (CID 72706803) is 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine is Cc1nc2ccc(OCc3cccc(N4CCCC4)n3)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is ACJRUMLPHWHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-14(2)23-17(19-13)8-9-18(21-23)24-12-15-6-5-7-16(20-15)22-10-3-4-11-22/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 323.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 72706803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).