5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol

C22H22N4O3 — CID 170041240

IUPAC5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol
SMILESCn1cc(-c2ccc(-c3cc4c(nn3)C(C3CCOCC3)=CCO4)c(O)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-26-13-16(12-23-26)15-2-3-18(20(27)10-15)19-11-21-22(25-24-19)17(6-9-29-21)14-4-7-28-8-5-14/h2-3,6,10-14,27H,4-5,7-9H2,1H3
InChIKeyAHNUBCWJFXHZTR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol

5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol (PubChem CID 170041240) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol
PubChem CID170041240
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol
SMILESCn1cc(-c2ccc(-c3cc4c(nn3)C(C3CCOCC3)=CCO4)c(O)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-26-13-16(12-23-26)15-2-3-18(20(27)10-15)19-11-21-22(25-24-19)17(6-9-29-21)14-4-7-28-8-5-14/h2-3,6,10-14,27H,4-5,7-9H2,1H3
InChIKeyAHNUBCWJFXHZTR-UHFFFAOYSA-N
XLogP3.45
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol with MolForge

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Related Compounds

4-fluoro-2-[6-[[(1R,2S,3R,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162649625
4-fluoro-2-[6-[[(1S,2R,3S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162676714
2,2-dimethyl-7-(3-methyloctan-2-yl)-4-(2-methylpyrazol-3-yl)-3H-chromene-4,5-diol
CID 21789776
2-Fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol
CID 155664963
2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol
CID 162372684
2-[6-[[(1S,2S,3R,5R)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372687
2-[6-[[(1R,5R,6R,7S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372690
2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372703
2-fluoro-6-[6-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-3-(1-methylpyrazol-4-yl)phenol
CID 162372719
2-[6-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372721
3-fluoro-2-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372724
2-[6-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162372726

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol (CID 170041240) is 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol is Cn1cc(-c2ccc(-c3cc4c(nn3)C(C3CCOCC3)=CCO4)c(O)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol?
The InChIKey is AHNUBCWJFXHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26-13-16(12-23-26)15-2-3-18(20(27)10-15)19-11-21-22(25-24-19)17(6-9-29-21)14-4-7-28-8-5-14/h2-3,6,10-14,27H,4-5,7-9H2,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol?
5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol has a molecular weight of 390.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 170041240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).