[2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol

C21H21N5O2 — CID 118278179

IUPAC[2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)c(CO)n2n1
InChIInChI=1S/C21H21N5O2/c1-25-11-16(14-5-3-2-4-6-14)22-19(25)13-28-20-10-9-18-23-21(15-7-8-15)17(12-27)26(18)24-20/h2-6,9-11,15,27H,7-8,12-13H2,1H3
InChIKeyMCPXSXNKYRZMBZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.08
Rot. Bonds6

About [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol

[2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 118278179) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID118278179
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)c(CO)n2n1
InChIInChI=1S/C21H21N5O2/c1-25-11-16(14-5-3-2-4-6-14)22-19(25)13-28-20-10-9-18-23-21(15-7-8-15)17(12-27)26(18)24-20/h2-6,9-11,15,27H,7-8,12-13H2,1H3
InChIKeyMCPXSXNKYRZMBZ-UHFFFAOYSA-N
XLogP3.08
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]pyridazin-3-yl]methanol?
The IUPAC name of [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol (CID 118278179) is [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol is Cn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)c(CO)n2n1.
What is the InChIKey of [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is MCPXSXNKYRZMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25-11-16(14-5-3-2-4-6-14)22-19(25)13-28-20-10-9-18-23-21(15-7-8-15)17(12-27)26(18)24-20/h2-6,9-11,15,27H,7-8,12-13H2,1H3.
What are the key properties of [2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol?
[2-cyclopropyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 375.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyridazin-3-yl]methanol is sourced from PubChem (CID 118278179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).