2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol

C22H21FN4O2 — CID 170041547

IUPAC2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cc2c(nn1)C([C@H]1CCCC[C@H]1F)=CCO2
InChIInChI=1S/C22H21FN4O2/c23-18-4-2-1-3-15(18)16-7-10-29-21-12-19(25-26-22(16)21)17-6-5-14(11-20(17)28)27-9-8-24-13-27/h5-9,11-13,15,18,28H,1-4,10H2/t15-,18-/m1/s1
InChIKeyRXMWWQKMPFKXPR-CRAIPNDOSA-N
MW392.43 g/mol
LogP4.34
Rot. Bonds3

About 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol

2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 170041547) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID170041547
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cc2c(nn1)C([C@H]1CCCC[C@H]1F)=CCO2
InChIInChI=1S/C22H21FN4O2/c23-18-4-2-1-3-15(18)16-7-10-29-21-12-19(25-26-22(16)21)17-6-5-14(11-20(17)28)27-9-8-24-13-27/h5-9,11-13,15,18,28H,1-4,10H2/t15-,18-/m1/s1
InChIKeyRXMWWQKMPFKXPR-CRAIPNDOSA-N
XLogP4.34
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 170041588
2-[8-[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 168845758
2-[3-[[(1R,2R,4R)-2,4-difluorocyclopentyl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971589
2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971761
2-[6-[[(1R,2S,3S,5S)-2-fluoro-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 166586338
5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 162777580
5-imidazol-1-yl-2-[3-[(3S)-pyrrolidin-3-yl]sulfanyl-1,2,4-triazin-6-yl]phenol
CID 162777649
2-[3-[[(1S,2R,3R,6S)-2,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 163483093
2-[6-[[(5S,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369654
2-[3-[[(1S,2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 163959083
5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
CID 166973853
2-[6-[[(1S,5S,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369685

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol (CID 170041547) is 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1cc2c(nn1)C([C@H]1CCCC[C@H]1F)=CCO2.
What is the InChIKey of 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is RXMWWQKMPFKXPR-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-4-2-1-3-15(18)16-7-10-29-21-12-19(25-26-22(16)21)17-6-5-14(11-20(17)28)27-9-8-24-13-27/h5-9,11-13,15,18,28H,1-4,10H2/t15-,18-/m1/s1.
What are the key properties of 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol?
2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 392.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 170041547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).