4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C11H18FN3 — CID 171532074

IUPAC4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCC(C)c1c2c(nn1C)CN(C)CC2F
InChIInChI=1S/C11H18FN3/c1-7(2)11-10-8(12)5-14(3)6-9(10)13-15(11)4/h7-8H,5-6H2,1-4H3
InChIKeyWUAKKBWAACTJHS-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.00
Rot. Bonds1

About 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 171532074) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID171532074
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCC(C)c1c2c(nn1C)CN(C)CC2F
InChIInChI=1S/C11H18FN3/c1-7(2)11-10-8(12)5-14(3)6-9(10)13-15(11)4/h7-8H,5-6H2,1-4H3
InChIKeyWUAKKBWAACTJHS-UHFFFAOYSA-N
XLogP2.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 171532074) is 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CC(C)c1c2c(nn1C)CN(C)CC2F.
What is the InChIKey of 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is WUAKKBWAACTJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-7(2)11-10-8(12)5-14(3)6-9(10)13-15(11)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 211.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 171532074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).