3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine

C18H20FN5 — CID 110234033

IUPAC3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCCN(Cc3ccc(F)cc3)C2)c2nccnc21
InChIInChI=1S/C18H20FN5/c1-23-18-17(20-8-9-21-18)16(22-23)14-3-2-10-24(12-14)11-13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3
InChIKeyVOTVNDFRZFIFDE-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.88
Rot. Bonds3

About 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine

3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine (PubChem CID 110234033) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
PubChem CID110234033
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCCN(Cc3ccc(F)cc3)C2)c2nccnc21
InChIInChI=1S/C18H20FN5/c1-23-18-17(20-8-9-21-18)16(22-23)14-3-2-10-24(12-14)11-13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3
InChIKeyVOTVNDFRZFIFDE-UHFFFAOYSA-N
XLogP2.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine (CID 110234033) is 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine is Cn1nc(C2CCCN(Cc3ccc(F)cc3)C2)c2nccnc21.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is VOTVNDFRZFIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-23-18-17(20-8-9-21-18)16(22-23)14-3-2-10-24(12-14)11-13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3.
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 325.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110234033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).