2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine

C20H19N5O — CID 118288255

IUPAC2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C20H19N5O/c1-24-11-16(14-5-3-2-4-6-14)22-19(24)13-26-20-10-9-18-21-17(15-7-8-15)12-25(18)23-20/h2-6,9-12,15H,7-8,13H2,1H3
InChIKeyLDXJOLJNRNXQKX-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.59
Rot. Bonds5

About 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine

2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine (PubChem CID 118288255) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
PubChem CID118288255
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C20H19N5O/c1-24-11-16(14-5-3-2-4-6-14)22-19(24)13-26-20-10-9-18-21-17(15-7-8-15)12-25(18)23-20/h2-6,9-12,15H,7-8,13H2,1H3
InChIKeyLDXJOLJNRNXQKX-UHFFFAOYSA-N
XLogP3.59
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine (CID 118288255) is 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine is Cn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)cn2n1.
What is the InChIKey of 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is LDXJOLJNRNXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24-11-16(14-5-3-2-4-6-14)22-19(24)13-26-20-10-9-18-21-17(15-7-8-15)12-25(18)23-20/h2-6,9-12,15H,7-8,13H2,1H3.
What are the key properties of 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 345.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118288255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).