2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol

C24H26FN5O — CID 167369760

IUPAC2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESCC1C[C@H]2N[C@](C)(C/C(=C/c3ccc(-c4ccc(-n5ccnc5)cc4O)nn3)[C@H]2F)C1
InChIInChI=1S/C24H26FN5O/c1-15-9-21-23(25)16(13-24(2,12-15)27-21)10-17-3-6-20(29-28-17)19-5-4-18(11-22(19)31)30-8-7-26-14-30/h3-8,10-11,14-15,21,23,27,31H,9,12-13H2,1-2H3/b16-10-/t15?,21-,23-,24+/m1/s1
InChIKeyHUMWZLSNXPBLQB-MQNHVFMMSA-N
MW419.50 g/mol
LogP4.31
Rot. Bonds3

About 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol

2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 167369760) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID167369760
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESCC1C[C@H]2N[C@](C)(C/C(=C/c3ccc(-c4ccc(-n5ccnc5)cc4O)nn3)[C@H]2F)C1
InChIInChI=1S/C24H26FN5O/c1-15-9-21-23(25)16(13-24(2,12-15)27-21)10-17-3-6-20(29-28-17)19-5-4-18(11-22(19)31)30-8-7-26-14-30/h3-8,10-11,14-15,21,23,27,31H,9,12-13H2,1-2H3/b16-10-/t15?,21-,23-,24+/m1/s1
InChIKeyHUMWZLSNXPBLQB-MQNHVFMMSA-N
XLogP4.31
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol with MolForge

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Related Compounds

2-[3-[(Z)-[(1S,4S)-4-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162778036
2-[6-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370110
2-[3-[[(1S,3S,4S)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162778146
2-[3-[[(1S,3S,4S,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162778112
2-[5-[[(1S,3S,4S,7S)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368308
6-[6-[(Z)-[(1S,4S)-4-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyridazin-3-yl]isoquinolin-7-ol
CID 167369697
2-[5-[(Z)-[(1R,4R)-7,7-difluoro-4-methoxy-1-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368518
2-[6-[[(2S,3S)-2-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 166586496
2-[6-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 155025616
2-[6-[[(1S,3S,5R)-7,7-difluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369792
2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368571
2-[6-[1-[(1S,2R,3S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethenyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369498

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol (CID 167369760) is 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol is CC1C[C@H]2N[C@](C)(C/C(=C/c3ccc(-c4ccc(-n5ccnc5)cc4O)nn3)[C@H]2F)C1.
What is the InChIKey of 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is HUMWZLSNXPBLQB-MQNHVFMMSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-15-9-21-23(25)16(13-24(2,12-15)27-21)10-17-3-6-20(29-28-17)19-5-4-18(11-22(19)31)30-8-7-26-14-30/h3-8,10-11,14-15,21,23,27,31H,9,12-13H2,1-2H3/b16-10-/t15?,21-,23-,24+/m1/s1.
What are the key properties of 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol?
2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 419.50 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(Z)-[(1S,4R,5R)-4-fluoro-1,7-dimethyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 167369760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).