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

C23H24FN3O2 — CID 50832540

IUPAC2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCn1nc(COCc2ccccc2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C23H24FN3O2/c1-26-22-10-11-27(23(28)13-18-8-5-9-19(24)12-18)14-20(22)21(25-26)16-29-15-17-6-3-2-4-7-17/h2-9,12H,10-11,13-16H2,1H3
InChIKeyOMAZEEZNTXBSBE-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.40
Rot. Bonds6

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

2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 50832540) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID50832540
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCn1nc(COCc2ccccc2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C23H24FN3O2/c1-26-22-10-11-27(23(28)13-18-8-5-9-19(24)12-18)14-20(22)21(25-26)16-29-15-17-6-3-2-4-7-17/h2-9,12H,10-11,13-16H2,1H3
InChIKeyOMAZEEZNTXBSBE-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 50832540) is 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is Cn1nc(COCc2ccccc2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OMAZEEZNTXBSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-26-22-10-11-27(23(28)13-18-8-5-9-19(24)12-18)14-20(22)21(25-26)16-29-15-17-6-3-2-4-7-17/h2-9,12H,10-11,13-16H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 393.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 50832540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).