1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one

C19H24FN3O2 — CID 50832717

IUPAC1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1
InChIInChI=1S/C19H24FN3O2/c1-13(2)19(24)23-9-8-18-15(10-23)17(21-22(18)3)12-25-11-14-6-4-5-7-16(14)20/h4-7,13H,8-12H2,1-3H3
InChIKeyVEXJUYKAOKSNTE-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.82
Rot. Bonds5

About 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one

1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one (PubChem CID 50832717) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
PubChem CID50832717
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1
InChIInChI=1S/C19H24FN3O2/c1-13(2)19(24)23-9-8-18-15(10-23)17(21-22(18)3)12-25-11-14-6-4-5-7-16(14)20/h4-7,13H,8-12H2,1-3H3
InChIKeyVEXJUYKAOKSNTE-UHFFFAOYSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one (CID 50832717) is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
The InChIKey is VEXJUYKAOKSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13(2)19(24)23-9-8-18-15(10-23)17(21-22(18)3)12-25-11-14-6-4-5-7-16(14)20/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one has a molecular weight of 345.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 50832717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).