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

C22H23N5O — CID 118278162

IUPAC[2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCn1cc(-c2ccccc2)nc1CCc1ccc2nc(C3CC3)c(CO)n2n1
InChIInChI=1S/C22H23N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-9,11,14H2,1H3
InChIKeyMPGHNGMMPLAADB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.28
Rot. Bonds6

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

[2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 118278162) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID118278162
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCn1cc(-c2ccccc2)nc1CCc1ccc2nc(C3CC3)c(CO)n2n1
InChIInChI=1S/C22H23N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-9,11,14H2,1H3
InChIKeyMPGHNGMMPLAADB-UHFFFAOYSA-N
XLogP3.28
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol (CID 118278162) is [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol is Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C3CC3)c(CO)n2n1.
What is the InChIKey of [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is MPGHNGMMPLAADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-9,11,14H2,1H3.
What are the key properties of [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
[2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 373.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 118278162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).