5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol

C17H18FN5O — CID 171826525

IUPAC5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCc1cc(F)cc(O)c1-c1cc2cnn([C@@H]3CCCNC3)c2nn1
InChIInChI=1S/C17H18FN5O/c1-10-5-12(18)7-15(24)16(10)14-6-11-8-20-23(17(11)22-21-14)13-3-2-4-19-9-13/h5-8,13,19,24H,2-4,9H2,1H3/t13-/m1/s1
InChIKeyMWOGKCUXLUKFGC-CYBMUJFWSA-N
MW327.36 g/mol
LogP2.57
Rot. Bonds2

About 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol

5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol (PubChem CID 171826525) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol
PubChem CID171826525
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCc1cc(F)cc(O)c1-c1cc2cnn([C@@H]3CCCNC3)c2nn1
InChIInChI=1S/C17H18FN5O/c1-10-5-12(18)7-15(24)16(10)14-6-11-8-20-23(17(11)22-21-14)13-3-2-4-19-9-13/h5-8,13,19,24H,2-4,9H2,1H3/t13-/m1/s1
InChIKeyMWOGKCUXLUKFGC-CYBMUJFWSA-N
XLogP2.57
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The IUPAC name of 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol (CID 171826525) is 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol.
What is the SMILES notation for 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The canonical SMILES for 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol is Cc1cc(F)cc(O)c1-c1cc2cnn([C@@H]3CCCNC3)c2nn1.
What is the InChIKey of 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The InChIKey is MWOGKCUXLUKFGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-10-5-12(18)7-15(24)16(10)14-6-11-8-20-23(17(11)22-21-14)13-3-2-4-19-9-13/h5-8,13,19,24H,2-4,9H2,1H3/t13-/m1/s1.
What are the key properties of 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol?
5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol has a molecular weight of 327.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-[1-[(3R)-piperidin-3-yl]pyrazolo[3,4-c]pyridazin-5-yl]phenol is sourced from PubChem (CID 171826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).