5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol

C19H23FN4O — CID 171826679

IUPAC5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESCc1c(-c2ccc(F)cc2O)nnc2c1CCN2[C@@H]1CCCN(C)C1
InChIInChI=1S/C19H23FN4O/c1-12-15-7-9-24(14-4-3-8-23(2)11-14)19(15)22-21-18(12)16-6-5-13(20)10-17(16)25/h5-6,10,14,25H,3-4,7-9,11H2,1-2H3/t14-/m1/s1
InChIKeyLBBGMBNODRBZPH-CQSZACIVSA-N
MW342.42 g/mol
LogP2.75
Rot. Bonds2

About 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol

5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 171826679) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID171826679
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESCc1c(-c2ccc(F)cc2O)nnc2c1CCN2[C@@H]1CCCN(C)C1
InChIInChI=1S/C19H23FN4O/c1-12-15-7-9-24(14-4-3-8-23(2)11-14)19(15)22-21-18(12)16-6-5-13(20)10-17(16)25/h5-6,10,14,25H,3-4,7-9,11H2,1-2H3/t14-/m1/s1
InChIKeyLBBGMBNODRBZPH-CQSZACIVSA-N
XLogP2.75
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 171826679) is 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol is Cc1c(-c2ccc(F)cc2O)nnc2c1CCN2[C@@H]1CCCN(C)C1.
What is the InChIKey of 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is LBBGMBNODRBZPH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12-15-7-9-24(14-4-3-8-23(2)11-14)19(15)22-21-18(12)16-6-5-13(20)10-17(16)25/h5-6,10,14,25H,3-4,7-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol?
5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 342.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 171826679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).