(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C16H20FN3O — CID 97383003

IUPAC(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nn(C)cc21
InChIInChI=1S/C16H20FN3O/c1-19-9-15-13(11-21-2)8-20(10-16(15)18-19)7-12-3-5-14(17)6-4-12/h3-6,9,13H,7-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyCMKABRMLSGSIGL-ZDUSSCGKSA-N
MW289.35 g/mol
LogP2.31
Rot. Bonds4

About (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 97383003) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID97383003
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nn(C)cc21
InChIInChI=1S/C16H20FN3O/c1-19-9-15-13(11-21-2)8-20(10-16(15)18-19)7-12-3-5-14(17)6-4-12/h3-6,9,13H,7-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyCMKABRMLSGSIGL-ZDUSSCGKSA-N
XLogP2.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 97383003) is (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is COC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nn(C)cc21.
What is the InChIKey of (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is CMKABRMLSGSIGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-9-15-13(11-21-2)8-20(10-16(15)18-19)7-12-3-5-14(17)6-4-12/h3-6,9,13H,7-8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 289.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 97383003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).