6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

C22H19FN6O — CID 122510553

IUPAC6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3O)nn12
InChIInChI=1S/C22H19FN6O/c23-15-7-5-14(6-8-15)21-22(28(13-26-21)18-3-1-2-4-19(18)30)17-9-10-20-25-12-16(11-24)29(20)27-17/h5-10,12-13,18-19,30H,1-4H2
InChIKeyJKULRBMGTZZBBG-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.75
Rot. Bonds3

About 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 122510553) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID122510553
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3O)nn12
InChIInChI=1S/C22H19FN6O/c23-15-7-5-14(6-8-15)21-22(28(13-26-21)18-3-1-2-4-19(18)30)17-9-10-20-25-12-16(11-24)29(20)27-17/h5-10,12-13,18-19,30H,1-4H2
InChIKeyJKULRBMGTZZBBG-UHFFFAOYSA-N
XLogP3.75
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 122510553) is 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3O)nn12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is JKULRBMGTZZBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-15-7-5-14(6-8-15)21-22(28(13-26-21)18-3-1-2-4-19(18)30)17-9-10-20-25-12-16(11-24)29(20)27-17/h5-10,12-13,18-19,30H,1-4H2.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 402.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 122510553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).