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

C22H21F2N3O2 — CID 50832744

IUPAC(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)c1cccc(F)c1)C2
InChIInChI=1S/C22H21F2N3O2/c1-26-21-9-10-27(22(28)15-6-4-7-17(23)11-15)12-18(21)20(25-26)14-29-13-16-5-2-3-8-19(16)24/h2-8,11H,9-10,12-14H2,1H3
InChIKeyVOCXUHKYDLLION-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.61
Rot. Bonds5

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

(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 50832744) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID50832744
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)c1cccc(F)c1)C2
InChIInChI=1S/C22H21F2N3O2/c1-26-21-9-10-27(22(28)15-6-4-7-17(23)11-15)12-18(21)20(25-26)14-29-13-16-5-2-3-8-19(16)24/h2-8,11H,9-10,12-14H2,1H3
InChIKeyVOCXUHKYDLLION-UHFFFAOYSA-N
XLogP3.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 50832744) is (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)c1cccc(F)c1)C2.
What is the InChIKey of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is VOCXUHKYDLLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-26-21-9-10-27(22(28)15-6-4-7-17(23)11-15)12-18(21)20(25-26)14-29-13-16-5-2-3-8-19(16)24/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 397.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 50832744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).